SCHEMBL10967762

SCHEMBL10967762

O=C(O)CCCSc1nc2cc(F)c(F)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LDHA P00338 2/20 0.49
PPOX P50336 3/20 0.47
LMNA P02545 6/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL10969004 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10969914 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10830483 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10968560 0.79 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10829908 0.79 MEN1 (0.61) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL7015882 0.79 ALOX5 (0.65) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL3497943 0.78 SMN1; SMN2 (0.84) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10969057 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10968385 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1POLBHPGDTSHR
SCHEMBL10969594 0.76 LDHA (0.55) SMN1; SMN2ALDH1A1POLBHPGDTSHR

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
EP-0137426-A2 2-Mercaptothiazole derivatives, process for their preparation and utilization of 2-mercaptothiazole derivatives in pharmaceutical compounds BAYER AG (DE) 1985-04-17 EP disclosed