SCHEMBL3267982

SCHEMBL3267982

NC(=O)Oc1[nH]c2ccsc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDPK1 O15530 1/20 0.34
CHEK2 O96017 1/20 0.34
RHEB Q15382 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32

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
SCHEMBL3269102 0.89 PDPK1 (0.36) MEN1KMT2APDPK1DHFRTYMS
SCHEMBL3269983 0.88 ALDH1A1 (0.34) TP53
SCHEMBL3268931 0.88 TUBB4A (0.37) MEN1KMT2A
SCHEMBL3268326 0.85 CCNC (0.33) DHFRTYMS
SCHEMBL3269791 0.84 PDPK1 (0.36) KMT2APDPK1RHEB
SCHEMBL3268889 0.82 MAPK8 (0.32) PDPK1
SCHEMBL3174896 0.81 MAP2 (0.39) PDPK1CHEK2
SCHEMBL3269989 0.79 KDR (0.39) MEN1KMT2ATP53TYMS
SCHEMBL3269545 0.79 TYMS (0.35) MEN1KMT2ATYMS
SCHEMBL3268577 0.79 KDR (0.39) RAB9A

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