SCHEMBL8505745

SCHEMBL8505745

COc1ccc(C(=O)c2cccc(Cn3ncccc3=O)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ NPBWR1 P48145 7/20 0.43
▸ MAPK14 Q16539 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PPARG P37231 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8501886 0.89 NPBWR1 (0.45) KMT2ANPBWR1MAPK14CYP19A1CYP11B1
SCHEMBL8504853 0.88 KMT2A (0.49) KMT2ANPBWR1MAPK14CYP19A1MAPT
SCHEMBL8501880 0.76 ALDH1A1 (0.35) KMT2AMAPTTP53RAB9ANPC1
SCHEMBL8503193 0.75 NR4A1 (0.40) KMT2ACYP19A1MAPTSMN1; SMN2TP53
SCHEMBL8504945 0.73 NPBWR1 (0.39) KMT2ANPBWR1CYP19A1SMN1; SMN2RAB9A
SCHEMBL27501601 0.73 NPBWR1 (0.56) NPBWR1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8505747 0.72 KMT2A (0.45) KMT2ACYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL8526361 0.72 MAPT (0.43) KMT2AMAPTTP53MEN1ALDH1A1
SCHEMBL7583160 0.70 KMT2A (0.42) KMT2AMAPTSMN1; SMN2TP53RAB9A
SCHEMBL9360054 0.70 KMT2A (0.59) KMT2AMAPTSMN1; SMN2TP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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