SCHEMBL17115183

SCHEMBL17115183

Cc1nc2cc(Br)cc(C)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NQO2 P16083 2/20 0.42
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25245500 0.81 SMN1; SMN2 (0.39) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL17102374 0.81 NPC1 (0.39) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL17115155 0.81 SMN1; SMN2 (0.39) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL14347169 0.81 SMN1; SMN2 (0.68) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL2171105 0.79 SMN1; SMN2 (0.66) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL17102371 0.78 NQO2 (0.49) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL19753611 0.78 NPC1 (0.47) GAASMN1; SMN2NPC1RAB9ANQO2
SCHEMBL16437413 0.72 SMN1; SMN2 (0.43) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL17859545 0.72 RAB9A (0.56) GAASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL12046198 0.71 GAA (0.52) GAASMN1; SMN2NPC1RAB9AHSD17B10

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-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
WO-2015140054-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-24 WO disclosed