SCHEMBL3431899

SCHEMBL3431899

CC(C)NC(=O)C1CC(c2nccc3ccccc23)=NO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SSTR4 P31391 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
SCHEMBL25397961 0.85 PSMB5 (0.42) POLBCA1CA2CYP1A2CYP2C19
SCHEMBL25397955 0.85 PSMB5 (0.42) POLBCA1CA2CYP1A2CYP2C19
SCHEMBL29678720 0.82 CA1 (0.40) POLBCA1CA2NPSR1LMNA
SCHEMBL24517766 0.82 POLB (0.51) POLBCA1CA2NPSR1LMNA
SCHEMBL24518110 0.81 LMNA (0.43) POLBCA1CA2CYP1A2CYP2C19
SCHEMBL12250264 0.80 CA1 (0.40) CA1CA2CYP1A2CYP2C19NPSR1
SCHEMBL12250262 0.78 LMNA (0.38) POLBCA1CA2CYP1A2CYP2C19
SCHEMBL24518112 0.78 CA1 (0.43) CA1CA2NPSR1LMNAKMT2A
SCHEMBL25399601 0.69 PSMB5 (0.46) POLBCA1CA2CYP1A2CYP2C19
SCHEMBL25399595 0.69 PSMB5 (0.46) POLBCA1CA2CYP1A2CYP2C19

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
WO-2010005765-A1 METHOD OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS GILEAD SCIENCES, INC. (US) 2010-01-14 — — WO claimed
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