SCHEMBL6273758

SCHEMBL6273758

Cc1nc2ccc(CCCN)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
TPSAB1 Q15661 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MME P08473 1/20 0.43
MMEL1 Q495T6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LDHA P00338 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL6268462 0.98 SMN1; SMN2 (0.53) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL25143234 0.95 SMN1; SMN2 (0.53) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL12569423 0.90 SMN1; SMN2 (0.62) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL4407874 0.88 HSD17B10 (0.62) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL10261559 0.86 CASP3 (0.52) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL8193282 0.83 SMN1; SMN2 (0.61) SMN1; SMN2TPSAB1RAB9ANPC1HSD17B10
SCHEMBL22926235 0.83 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HSD17B10MAPT
SCHEMBL13273315 0.82 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HSD17B10MAPT
SCHEMBL8342618 0.82 NPC1 (0.53) SMN1; SMN2RAB9ANPC1GAAPCSK9
SCHEMBL20613119 0.81 HSD17B10 (0.57) SMN1; SMN2RAB9ANPC1HSD17B10MAPT

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-1606272-A1 3-(1-3-(1,3-BENZOTHIAZOL-6-YL)PROPYLCARBAMOYL CYCLOALKYL)PROPANOIC ACID DERIVATIVES AS NEP INHIBITORS Pfizer Limited (GB) 2005-12-21 EP disclosed
WO-2004080985-A1 3-(1-[3-(1,3-BENZOTHIAZOL-6-YL)PROPYLCARBAMOYL]CYCLOALKYL)PROPANOIC ACID DERIVATIVES AS NEP INHIBITORS PFIZER LIMITED (GB) 2004-09-23 WO disclosed
WO-2004080985-A1 3-(1-[3-(1,3-BENZOTHIAZOL-6-YL)PROPYLCARBAMOYL]CYCLOALKYL)PROPANOIC ACID DERIVATIVES AS NEP INHIBITORS PFIZER LIMITED (GB) 2004-09-23 WO disclosed