SCHEMBL4620516

SCHEMBL4620516

COc1ccc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccccc2C1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
KDM4E B2RXH2 8/20 1.00
THRB P10828 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 4/20 1.00
LMNA P02545 4/20 1.00
GAA P10253 4/20 1.00
HPGD P15428 3/20 1.00
HTT P42858 3/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
RECQL P46063 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
ALOX12 P18054 2/20 1.00
MAPK1 P28482 2/20 1.00
POLB P06746 1/20 1.00
PKM P14618 2/20 0.75
NPSR1 Q6W5P4 3/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL9996010 0.89 MAPT (0.80) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL20757413 0.88 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL5345117 0.88 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL9325279 0.88 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL4621970 0.88 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL8504276 0.87 MAPT (0.81) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL13809657 0.87 MAPT (0.81) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL6420753 0.87 MAPT (0.77) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL13809185 0.86 MAPT (0.75) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL13839771 0.86 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1

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
EP-1404768-B1 POLYURETHANE BASED BALLPOINT INKS BIC CORP (US) 2020-04-22 EP disclosed
US-10022996-B2 Infrared sensitive color-forming composition, infrared curable color-forming composition, lithographic printing plate precursor and plate making method FUJIFILM CORPORATION (JP) 2018-07-17 US disclosed
EP-1758447-A4 COLOR-CHANGING FISHING EQUIPMENT PURE FISHING INC (US) 2008-06-04 EP disclosed
EP-1311635-B1 SOLVENT-BASED NON-FLUORESCENT INKS FOR WRITING INSTRUMENTS BASED UPON PIGMENT DISPERSIONS IN NON-AQUEOUS SOLVENTS BIC CORP (US) 2008-03-19 EP disclosed
EP-1758447-A2 COLOR-CHANGING FISHING EQUIPMENT Pure Fishing, Inc. (US) 2007-03-07 EP disclosed
WO-2006009606-A2 COLOR-CHANGING FISHING EQUIPMENT PURE FISHING, INC. (US) 2006-01-26 WO disclosed
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
US-20030055127-A1 Polyurethane based inks for writing instruments BIC CORPORATION 2003-03-20 US disclosed
US-5208132-A Microencapsulation of hindered amines MATSUI SHIKISO CHEMICAL CO., LTD. (JP) 1993-05-04 US disclosed
US-4913544-A WINDOWS, OPTICAL GLASS PILKINGTON PLC (GB) 1990-04-03 US disclosed
EP-0245020-A2 Photochromic articles PILKINGTON PLC (GB) 1987-11-11 EP disclosed