SCHEMBL4949235

SCHEMBL4949235

N#CCc1nc(OCc2cccc(CN3CCCCC3)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HIF1A Q16665 1/20 0.44
LTA4H P09960 4/20 0.41
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK8 P45983 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL4952153 0.92 MAPK8 (0.49) RAB9ASMN1; SMN2CYP1A2CYP3A4TP53
SCHEMBL5033422 0.88 MAPK9 (0.47) RAB9ASMN1; SMN2CYP1A2CYP3A4TP53
SCHEMBL5042890 0.84 MAPK9 (0.46) RAB9ASMN1; SMN2CYP1A2CYP3A4TP53
SCHEMBL4950482 0.84 FNTA (0.42) RAB9ASMN1; SMN2CYP1A2CYP3A4MAPK9
SCHEMBL5033477 0.83 MAPK9 (0.45) RAB9ASMN1; SMN2CYP1A2CYP3A4HIF1A
SCHEMBL3747871 0.80 MAPK9 (0.42) RAB9ASMN1; SMN2CYP1A2CYP3A4MAPK9
SCHEMBL4948638 0.78 MAPK9 (0.43) RAB9ASMN1; SMN2CYP1A2CYP3A4TSHR
SCHEMBL4950093 0.75 LTA4H (0.50) RAB9ASMN1; SMN2LTA4HMAPK9MAPK10
SCHEMBL5596710 0.75 ALDH1A1 (0.47) RAB9ASMN1; SMN2TP53MAPK9MAPK10
SCHEMBL7396523 0.74 ILK (0.41) RAB9ASMN1; SMN2CYP1A2CYP3A4TSHR

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
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO disclosed