SCHEMBL2656771

SCHEMBL2656771

O=C(Nc1nccs1)c1ccc[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.68
NPC1 O15118 9/20 0.63
SCD O00767 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57
MAPK8 P45983 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.56
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.53
PPARG P37231 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
AGER Q15109 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL995829 0.78 NPC1 (1.00) RAB9ANPC1SCDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27594584 0.76 NPC1 (0.97) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL16562033 0.76 SCD (1.00) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL2628996 0.74 NPC1 (0.76) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL29904457 0.73 HSPA5 (0.71) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL8558332 0.73 HSPA5 (0.71) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL4290771 0.73 NPC1 (0.79) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL1897970 0.73 NPC1 (1.00) RAB9ANPC1SCDSMN1; SMN2LMNA
SCHEMBL2658062 0.73 NPC1 (0.66) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL5753873 0.73 KCNMA1 (0.46) RAB9ANPC1SMN1; SMN2LMNAMEN1

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-2155720-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION Advinus Therapeutics Private Limited (IN) 2010-02-24 EP claimed
WO-2008149382-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-12-11 WO claimed