SCHEMBL6629122

SCHEMBL6629122

CC(NC(=O)/C=C\c1cccc(F)c1)c1cccc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ INSR P06213 1/20 0.38

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
SCHEMBL6626267 1.00 TDP1 (0.47) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6626270 1.00 TDP1 (0.47) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30796029 1.00 TDP1 (0.47) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6626264 1.00 TDP1 (0.47) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6851568 0.94 TDP1 (0.45) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6851571 0.94 TDP1 (0.45) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6851565 0.94 TDP1 (0.45) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6626118 0.92 TDP1 (0.47) TDP1SMN1; SMN2LMNAKMT2AKCNQ3
SCHEMBL6626121 0.92 TDP1 (0.47) TDP1SMN1; SMN2LMNAKMT2AKCNQ3
SCHEMBL6626115 0.92 TDP1 (0.47) TDP1SMN1; SMN2LMNAKMT2AKCNQ3

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
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 — — EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 — — WO disclosed
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