SCHEMBL11271173

SCHEMBL11271173

C/C=C\NC(=O)NC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ EPHX1 P07099 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.49
▸ ACP1 P24666 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46

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
SCHEMBL11271177 1.00 SMN1; SMN2 (0.53) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL28774232 0.91 SMN1; SMN2 (0.59) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL10401175 0.81 SMN1; SMN2 (0.80) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL21511125 0.77 SMN1; SMN2 (0.59) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL25452823 0.76 SMN1; SMN2 (0.53) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL7908202 0.76 SMN1; SMN2 (0.64) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL20938570 0.76 SMN1; SMN2 (0.64) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL23069076 0.74 NPC1 (0.65) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL2887905 0.74 NPC1 (0.70) SMN1; SMN2EPHX1TP53TSHREPHX2
SCHEMBL24351262 0.73 EPHX1 (0.50) SMN1; SMN2EPHX1TP53TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350700-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1982-09-21 — — US disclosed
US-4287207-A USED AS AN ANALGESIC, ANTIPYRETIC OR ANTIINFLAMMATORY AGENT TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-09-01 — — US disclosed
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