SCHEMBL15468282

SCHEMBL15468282

CC(C)(C)c1cccc2c1[nH]c(=O)n2C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
DAO P14920 9/20 0.39
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
AURKA O14965 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16997520 0.81 DAO (0.60) KIF11DAOLMNAMAPTAURKA
SCHEMBL31383911 0.80 DAO (0.42) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL15079233 0.78 POLB (0.53) KIF11DAOPOLBALDH1A1
SCHEMBL1268409 0.73 DAO (0.55) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL15079240 0.71 RXFP1 (0.36) DAOLMNAMAPT
SCHEMBL20968807 0.70 PARP1 (0.44) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL26523311 0.68 KIF11 (0.53) KIF11DAOCA2MEN1CYP1A2
SCHEMBL22928150 0.68 KIF11 (0.53) KIF11CA2MEN1CYP1A2KMT2A
SCHEMBL12372609 0.67 DAO (0.58) DAOAURKAALDH1A1
SCHEMBL27022548 0.67 CA2 (0.34) CA2MAPTGABRA1GABRB2ALDH1A1

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
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed