SCHEMBL27920106

SCHEMBL27920106

O=C(O)c1scnc1-c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.44
RORB Q92753 3/20 0.41
BCAT2 O15382 2/20 0.40
HNF4A P41235 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RORC P51449 1/20 0.37
ATM Q13315 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL269858 0.86 KDM4E (0.53) KDM4EPKMRORBSMN1; SMN2CDC7
SCHEMBL27582958 0.82 KDM4E (0.43) KDM4EPKMRORBSMN1; SMN2NPC1
SCHEMBL24509432 0.82 RORB (0.46) KDM4EPKMRORBSMN1; SMN2NPC1
SCHEMBL24508661 0.82 ALDH1A2 (0.47) KDM4EPKMCDC7DBF4NPC1
Hydrochloric Acid SCHEMBL27583077 0.81 KDM4E (0.42) KDM4EPKMRORBSMN1; SMN2NPC1
SCHEMBL17843997 0.80 KDM4E (0.45) KDM4EPKMRORB
SCHEMBL1561051 0.78 KDM4E (0.46) KDM4EPKMRORBSMN1; SMN2NPC1
SCHEMBL27653976 0.75 RORB (0.55) KDM4EPKMRORBCDC7DBF4
SCHEMBL28357565 0.75 KDM4E (0.41) KDM4EPKM
SCHEMBL27727758 0.75 STK33 (0.48) KDM4EPKMNPC1RAB9AATM

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
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN claimed
CN-103333134-B 2-(3-cyano group-4-alkoxyl group) phenyl-4-substituted thiazole-5-formic acid compound, composition and method of making the same and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-02-24 CN disclosed
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN disclosed