SCHEMBL9690645

SCHEMBL9690645

COc1ccc2c(O)c(C(=O)O)cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 3/20 0.39
NNMT P40261 3/20 0.39
CYP1A2 P05177 1/20 0.39
ENPP1 P22413 1/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
PABPC1 P11940 1/20 0.37
PIK3CA P42336 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
HPGDS O60760 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL8668728 0.86 MAPT (0.47) TDP1POLBCYP1A2MAPTSMN1; SMN2
SCHEMBL23145042 0.82 KMT2A (0.44) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL29843352 0.82 KMT2A (0.44) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL2420837 0.80 KMT2A (0.40) TDP1KMT2ACYP1A2MEN1MAPT
SCHEMBL1902321 0.78 KDM4E (0.44) TDP1KMT2AMEN1MAPTLDHA
SCHEMBL25238882 0.77 CYP1A2 (0.41) TDP1POLBKMT2ANNMTCYP1A2
SCHEMBL5726874 0.77 TDP1 (0.50) TDP1POLBKMT2ANNMTPRKAG1
SCHEMBL25236718 0.74 ERN1 (0.44) MAPTMAPK1GFERERN1
SCHEMBL29206031 0.74 ALDH1A1 (0.42) TDP1POLBKMT2ANNMTCYP1A2
SCHEMBL30449338 0.74 ERN1 (0.44) MAPTMAPK1GFERERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298134-B1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-11-11 EP disclosed
US-4965266-A Antiallergens DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-10-23 US disclosed
EP-0298134-A1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1989-01-11 EP disclosed