SCHEMBL3269919

SCHEMBL3269919

NC(=O)Oc1[nH]c2sccc2c1Sc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
ENPP2 Q13822 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
TYMS P04818 3/20 0.35
RHEB Q15382 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL3269142 0.90 PARP15 (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3268815 0.88 TNKS2 (0.38) TYMSMAPK8MEN1KMT2ATNKS
SCHEMBL3268262 0.87 ICAM1 (0.38) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3270312 0.86 TNKS2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3275192 0.85 EDNRA (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3184679 0.83 PDE4B (0.42) PDE4BENPP2TUBB4ATUBBTUBA3C
SCHEMBL3268792 0.79 CDC7 (0.36) TYMSDHFRTNKSPARP1PARP15
SCHEMBL27675810 0.78 PDE4B (0.43) PDE4BENPP2TYMSDHFRAKR1B1
SCHEMBL3268877 0.78 PARP15 (0.35) FBP1MEN1KMT2ATNKSPARP1
SCHEMBL3269782 0.77 TYMS (0.41) PDE4BENPP2TUBB4ATUBBTUBA3C

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