SCHEMBL3268936

SCHEMBL3268936

NC(=O)Oc1[nH]c2ccsc2c1Sc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK8 P45983 1/20 0.31
HPGD P15428 1/20 0.31
GCK P35557 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
SCHEMBL3270325 0.87 KDM4E (0.35) HPGD
SCHEMBL3272702 0.87 PDE7A (0.39) MAPK1SMN1; SMN2HPGD
SCHEMBL3269317 0.86 MEN1 (0.36) MAPK8HPGD
SCHEMBL3267800 0.84 TUBB4A (0.42) MAPK8
SCHEMBL3270253 0.84 TUBB4A (0.31) SMN1; SMN2MAPK8
SCHEMBL3268931 0.83 TUBB4A (0.37) HPGD
SCHEMBL3173375 0.82 SMN1; SMN2 (0.40) NPC1TP53ALOX15MAPK1RAB9A
SCHEMBL3268818 0.82 USP7 (0.36) RAB9A
SCHEMBL3270359 0.80 MMP1 (0.33) HPGD
SCHEMBL3269989 0.80 KDR (0.39) TP53MAPK8GCK

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-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed