SCHEMBL445595

SCHEMBL445595

c1cc2c(ccc3cnccc32)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.58
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPKAPK2 P49137 1/20 0.56
ERN1 O75460 1/20 0.52
HTT P42858 2/20 0.50
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ROCK2 O75116 2/20 0.42
PRKCZ Q05513 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL27922950 0.97 IMPDH2 (0.56) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2313911 0.89 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL1419181 0.89 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL29568879 0.89 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL12532558 0.89 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL29398977 0.87 CYP3A4 (0.57) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL18099790 0.87 IMPDH2 (0.48) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL3693486 0.87 CYP3A4 (0.57) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL17184068 0.85 CYP3A4 (0.55) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL13859948 0.84 IMPDH2 (0.50) IMPDH2KDM4ELMNACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105548-A Ternary random polymer receptor material doped with two-dimensional benzodithiophene group and preparation method and application thereof 南京工业大学 2019-08-09 CN claimed
CN-107452514-A The hybrid super capacitor of energy density with raising 罗伯特·博世有限公司 2017-12-08 CN claimed
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
US-9130233-B2 Metal complex, modified compound thereof and useful compound thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-08 US claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
US-5818636-A Complementary surface confined polmer electrochromic materials, systems, and methods of fabrication therefor MOLECULAR DISPLAYS, INC. (US) 1998-10-06 US claimed
EP-0698226-A4 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN INC (US) 1997-02-12 EP claimed
EP-0698226-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INCORPORATED (US) 1996-02-28 EP claimed
US-5462849-A Host grain surface portions exhibit a face centered cubic crystal lattice structure containing a hexacoordination complex EASTMAN KODAK COMPANY (US) 1995-10-31 US claimed
WO-1994023333-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INC. (US) 1994-10-13 WO claimed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US claimed
US-20250282621-A1 CARBON NANOTUBE COMPOSITE COMPRISING MECHANICAL L IGANDS NANOCORE APS (DK) 2025-09-11 US disclosed
EP-3696602-B1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW MATERIAL CANON KK (JP) 2025-06-11 EP disclosed
EP-3696603-B1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING DEVICE, AND WINDOW MATERIAL CANON KK (JP) 2025-06-04 EP disclosed
US-5360712-A Forming silver halide in presence of coordination complex, decreased reciprocity failure, desensitization EASTMAN KODAK COMPANY (US) 1994-11-01 US disclosed
WO-1994023333-A1 COMPLEMENTARY SURFACE CONFINED POLYMER ELECTROCHROMIC MATERIALS, SYSTEMS, AND METHODS OF FABRICATION THEREFOR IGEN, INC. (US) 1994-10-13 WO disclosed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US disclosed
US-4335130-A Antifungal composition MORTON-NORWICH PRODUCTS, INC. (US) 1982-06-15 US disclosed