SCHEMBL996895

SCHEMBL996895

CCCCn1ccnc1S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
TLR8 Q9NR97 2/20 0.55
LMNA P02545 2/20 0.39
ADORA2A P29274 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PKM P14618 1/20 0.34
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL474441 0.92 TLR8 (0.61) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL998200 0.88
SCHEMBL17153793 0.79 ALDH1A1 (0.41) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL10005373 0.79 ALDH1A1 (0.74) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL995900 0.79
SCHEMBL924559 0.78 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL28276561 0.78 ALDH1A1 (1.00) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL329177 0.78 ALDH1A1 (1.00) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL329466 0.76 ALDH1A1 (0.63) ALDH1A1KMT2APOLBTLR8LMNA
SCHEMBL2936161 0.76 ALDH1A1 (0.69) ALDH1A1KMT2APOLBTLR8LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872093-B2 imidazole-based polymerization catalysts; refractive index; cost efficiency; for optical lenses, spectacle lenses, contact lenses, intraocular lenses, prisms, optical filters, optical fibers and optical disks substrate HOYA CORPORATION (JP) 2011-01-18 US disclosed
CN-101182308-B Imidazole chiral ionic liquids containing double function groups as well as preparation method and uses thereof UNIV ZHEJIANG TECHNOLOGY 2010-06-09 CN disclosed
US-7666809-B2 Electrode catalyst for fuel cell, electrode for fuel cell, and fuel cell KONICA MINOLTA HOLDINGS, INC. (JP) 2010-02-23 US disclosed
US-20090259001-A1 METHOD FOR PRODUCING POLYTHIOURETHANE RESIN HOYA CORPORATION (JP) 2009-10-15 US disclosed
EP-2065415-A1 METHOD FOR PRODUCING POLYTHIOURETHANE RESIN Hoya Corporation (JP) 2009-06-03 EP disclosed
CN-101182308-A Imidazole chiral ionic liquids containing double function groups as well as preparation method and uses thereof UNIV ZHEJIANG TECHNOLOGY (CN) 2008-05-21 CN disclosed
US-20080081760-A1 Electrode Catalyst For Fuel Cell, Electrode For Fuel Cell, And Fuel Cell KONICA MINOLTA HOLDINGS, INC. (JP) 2008-04-03 US disclosed
US-6930076-B2 Nematicidal trifluorobutenyl imidazole thioether derivatives BAYER CROPSCIENCE AG (DE) 2005-08-16 US disclosed
EP-1465490-A2 NEMATICIDAL TRIFLUOROBUTENYL IMIDAZOLE THIOETHER DERIVATIVES Bayer CropScience AG (DE) 2004-10-13 EP disclosed
WO-2003049541-A2 NEMATICIDAL TRIFLUOROBUTENYL IMIDAZOLE THIOETHER DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-06-19 WO disclosed
US-4973599-A ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-11-27 US disclosed