SCHEMBL3834645

SCHEMBL3834645

NC(=O)Oc1[nH]c2ccccc2c1Oc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
PARP10 Q53GL7 1/20 0.43
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
CXCL8 P10145 1/20 0.37
CARM1 Q86X55 2/20 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
SCHEMBL3839281 0.84 KDM4E (0.39) ALDH1A1PARP10TUBB4ATUBBTUBA3C
SCHEMBL2343430 0.81 MAP2 (0.48) ALDH1A1MAPTPARP10TUBB4ATUBB
SCHEMBL3839787 0.81 SCN9A (0.43) ALDH1A1MAPTPARP10GSK3BADK
SCHEMBL3839795 0.77 KDM4E (0.53) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3839803 0.76 TUBB4A (0.44) ALDH1A1MAPTPARP10TUBB4ATUBB
SCHEMBL3840006 0.76 MCL1 (0.41) ALDH1A1MAPTGSK3BADKHPGD
SCHEMBL3836337 0.74 KDM4E (0.41) ALDH1A1MAPTTUBB4ATUBBTUBA3C
SCHEMBL3837499 0.74 HTR6 (0.41) ALDH1A1MAPTGSK3BADKGABRA1
SCHEMBL3838681 0.74 KIF11 (0.42) ALDH1A1MAPTGSK3BADKGABRA1
SCHEMBL3835352 0.72 HSD17B10 (0.48) ALDH1A1PARP10GABRA1GABRG2GABRB3

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