SCHEMBL11232425

SCHEMBL11232425

CC(=O)Nc1cccc(-c2ccc(C)nc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.58
USP7 Q93009 2/20 0.58
CHEK1 O14757 1/20 0.58
FGFR1 P11362 1/20 0.58
NEK2 P51955 1/20 0.58
MAPK15 Q8TD08 1/20 0.58
CHEK2 O96017 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP17A1 P05093 2/20 0.54
TP53 P04637 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
STAT1 P42224 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MAP4K4 O95819 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
PIP4K2A P48426 1/20 0.53

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
SCHEMBL11222723 0.82 CNR1 (0.64) FYNNPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL3242870 0.81 BRAF (0.62) FYNUSP7CHEK1FGFR1NEK2
SCHEMBL11227834 0.81 CYP17A1 (0.56) CHEK1FGFR1NEK2MAPK15NPC1
SCHEMBL3238228 0.80 NPC1 (0.59) FYNUSP7CHEK1FGFR1NEK2
SCHEMBL11228972 0.80 HSD17B10 (0.57) FYNCHEK1FGFR1NEK2MAPK15
SCHEMBL24994579 0.80 FYN (0.51) FYNUSP7CHEK1FGFR1NEK2
SCHEMBL12999591 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2CYP17A1TP53
SCHEMBL8577619 0.79 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2CYP17A1TP53
SCHEMBL2648798 0.78 FYN (0.54) FYNUSP7CHEK1FGFR1NEK2
SCHEMBL13680541 0.78 HSD17B10 (0.79) NPC1RAB9ASMN1; SMN2CYP17A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4127583-A Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4118557-A Cyclic alkylidenyl N-(lower-alkyl)-3-(pyridinyl)anilinomethylenemalonates STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4111946-A Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4075217-A Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 US disclosed