SCHEMBL3837549

SCHEMBL3837549

Nc1ccccc1Sc1c(C2CCCCN2C=O)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
GFER P55789 1/20 0.36
ALOX15 P16050 3/20 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
SCHEMBL3839514 0.97 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3839475 0.86 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3835938 0.77 PPARG (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3835082 0.71 HTR2A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3840372 0.70 PPARG (0.35) HTR2AHTR2CLMNAALDH1A1PPARG
SCHEMBL3839592 0.70 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2345945 0.69 POLB (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5258892 0.69 KEAP1 (0.39) KMT2AMEN1
SCHEMBL2351416 0.68 MAPT (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL2348609 0.68 POLB (0.44) 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