SCHEMBL1121189

SCHEMBL1121189

CCC(C)C(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.66
LMNA P02545 1/20 0.62
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 1/20 0.60
FFAR2 O15552 1/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 1/20 0.58
PKM P14618 3/20 0.57
KLF5 Q13887 3/20 0.57
SPHK2 Q9NRA0 1/20 0.57
SPHK1 Q9NYA1 1/20 0.57
MAOB P27338 1/20 0.56
ADORA2A P29274 1/20 0.56
MAPK1 P28482 1/20 0.56
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
OPRK1 P41145 1/20 0.54

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
SCHEMBL11578322 0.87 HSD17B10 (0.67) HSD17B10LMNANPC1RAB9ASMN1; SMN2
Benzene SCHEMBL7282826 0.86 NPC1 (0.60) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1106998 0.85 LMNA (0.69) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL7301661 0.81 LMNA (0.62) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11830708 0.80 TUBB4A (0.65) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2249949 0.80 HPSE (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11167021 0.80 NPC1 (0.72) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL22724390 0.79 NPC1 (0.76) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL30968980 0.77 LMNA (1.00) HSD17B10LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1434166 0.77 LMNA (1.00) HSD17B10LMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551676-B2 Pigment-dispersed composition, curable composition, and color filter and production method thereof FUJIFILM CORPORATION (JP) 2013-10-08 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-20100119959-A1 PIGMENT-DISPERSED COMPOSITION, CURABLE COMPOSITION, AND COLOR FILTER AND PRODUCTION METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-05-13 US disclosed