SCHEMBL3839280

SCHEMBL3839280

NC(=O)Oc1[nH]c2ccccc2c1Sc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.44
TUBB P07437 10/20 0.44
TUBA3C P0DPH7 10/20 0.44
TUBA1B P68363 10/20 0.44
TUBA4A P68366 10/20 0.44
TUBB4B P68371 10/20 0.44
TUBB3 Q13509 10/20 0.44
TUBB2A Q13885 10/20 0.44
TUBB8 Q3ZCM7 10/20 0.44
TUBA3E Q6PEY2 10/20 0.44
TUBA1A Q71U36 10/20 0.44
TUBA1C Q9BQE3 10/20 0.44
TUBB6 Q9BUF5 10/20 0.44
TUBB2B Q9BVA1 10/20 0.44
TUBB1 Q9H4B7 10/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX1 P07099 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL3835279 0.86 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035604 0.85 ACHE (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4043016 0.85 ROCK2 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035517 0.82 TYMS (0.37) POLBEPHX1TYMSLMNAHPGD
SCHEMBL2349768 0.81 POLB (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1827677 0.81 POLB (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3269989 0.81 KDR (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24074239 0.78 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3270806 0.77 TYMS (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4036741 0.76 RAF1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP claimed