SCHEMBL8501886

SCHEMBL8501886

COc1ccc(C(=O)c2cccc(Cn3ncccc3=O)c2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 11/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ MAPK14 Q16539 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL8505745 0.89 KMT2A (0.44) NPBWR1KMT2AMAPK14CYP19A1CYP11B1
SCHEMBL8504853 0.88 KMT2A (0.49) NPBWR1KMT2AMAPK14CYP19A1MAPT
SCHEMBL8503193 0.75 NR4A1 (0.40) KMT2ACYP19A1TP53SMN1; SMN2NPSR1
SCHEMBL8504945 0.73 NPBWR1 (0.39) NPBWR1KMT2ACYP19A1SMN1; SMN2NPSR1
SCHEMBL27501601 0.73 NPBWR1 (0.56) NPBWR1SMN1; SMN2MAPT
SCHEMBL8501890 0.72 ALDH1A1 (0.43) KMT2ACYP11B1CYP11B2TP53SMN1; SMN2
SCHEMBL7583782 0.70 KMT2A (0.42) KMT2ATP53SMN1; SMN2NPSR1MAPT
SCHEMBL8526361 0.70 MAPT (0.43) KMT2ATP53NPSR1MAPT
SCHEMBL28502249 0.69 ALDH1A1 (0.44) NPBWR1KMT2ACYP19A1TP53
SCHEMBL8502094 0.68 MEN1 (0.45) KMT2ATP53MAPT

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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