SCHEMBL7013286

SCHEMBL7013286

Nc1ccc(Oc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
RAD52 P43351 1/20 0.50
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL7013293 0.87 PRKCI (0.66) PRKCIMAPTKDM4ERAD52ALDH1A1
SCHEMBL1799379 0.85 QPCTL (0.45) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL16478923 0.83 MMP12 (0.47) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL29488199 0.83 TRPA1 (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4604506 0.82 MMP12 (0.42) PRKCIMAPTKDM4ERAD52ALDH1A1
SCHEMBL19790131 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMMP12
SCHEMBL115965 0.80 PRKCI (0.70) PRKCIMAPTKDM4ERAD52ALDH1A1
SCHEMBL30832996 0.80 PRKCI (0.70) PRKCIMAPTKDM4ERAD52ALDH1A1
SCHEMBL1875298 0.80 P2RY14 (0.49) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL1876553 0.80 P2RY14 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed