SCHEMBL874533

SCHEMBL874533

Nc1cc(-c2ccc(NC(=O)NCc3cccnc3)cc2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NAMPT P43490 9/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.55
HDAC1 Q13547 1/20 0.55
CYP2C9 P11712 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 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
SCHEMBL882692 0.89 POLB (0.58) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL874896 0.85 POLB (0.57) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL12335086 0.78 KMT2A (0.76) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL882718 0.78 POLB (0.58) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL874893 0.78 POLB (0.55) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL5192468 0.76 CYP3A4 (0.56) SMN1; SMN2MEN1KMT2AHDAC1CYP2C9
SCHEMBL11614852 0.76 SMN1; SMN2 (0.81) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL875189 0.76 POLB (0.58) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
SCHEMBL12335465 0.76 NAMPT (0.75) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A
Ammonia Solution, Strong SCHEMBL29131270 0.75 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1NAMPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed