SCHEMBL8399865

SCHEMBL8399865

COc1ccc(C(=O)c2cc(C#N)c(C)n2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ F2 P00734 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL8403244 0.80 NPSR1 (0.50) ALDH1A1LMNANPSR1ALOX15HTT
SCHEMBL5312235 0.74 NPC1 (0.42) ALDH1A1LMNAKMT2AF2CES2
SCHEMBL8403591 0.74 CA2 (0.44) ALDH1A1KMT2A
SCHEMBL11375273 0.70 LMNA (0.52) ALDH1A1LMNANPSR1ALOX15HTT
SCHEMBL27846222 0.70 KMT2A (0.60) ALDH1A1LMNANPSR1HTTKMT2A
SCHEMBL3469060 0.70 VNN1 (0.63) ALDH1A1LMNANPSR1ALOX15KMT2A
SCHEMBL15198839 0.69 ALDH1A1 (0.43) ALDH1A1NPSR1HTTKMT2ARAB9A
SCHEMBL15100717 0.69 LMNA (0.55) ALDH1A1LMNANPSR1ALOX15HTT
SCHEMBL10877250 0.68 ALDH1A1 (0.49) ALDH1A1LMNANPSR1ALOX15HTT
SCHEMBL51509 0.68 RXFP1 (0.79) ALDH1A1LMNANPSR1KMT2ACES2

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-5952368-A AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS SYNTEX (U.S.A.) INC. (US) 1999-09-14 — — US disclosed
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