SCHEMBL15499013

SCHEMBL15499013

Cc1cccc(-c2cccc3nccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ENPP1 P22413 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
LCK P06239 2/20 0.41
CSF1R P07333 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL28052765 0.88 MAPT (0.43) TGFBR1BCHEACHEKDM4EMEN1
SCHEMBL17345167 0.81 MAPT (0.50) TGFBR1KDM4EMEN1USP2ALDH1A1
SCHEMBL18230037 0.81 TGFBR1 (0.40) TGFBR1BCHEACHEENPP1MAPT
SCHEMBL2801515 0.80 TOP1 (0.53) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL12900890 0.79 CCR1 (0.53) BCHEACHEENPP1KDM4EMEN1
SCHEMBL15496382 0.79 RXRA (0.39) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL13525175 0.78 ACVR1 (0.54) BCHEACHEKDM4EALDH1A1MAPT
SCHEMBL3069598 0.77 KDM4E (0.58) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL27380648 0.76 MAPT (0.39) TGFBR1ENPP1KDM4EMEN1USP2
SCHEMBL21982345 0.75 ACVR1 (0.52) TGFBR1ALDH1A1MAPTKMT2AKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9379336-B2 Compounds for use in light emitting devices NITTO DENKO CORPORATION (JP) 2016-06-28 US disclosed
US-20140061614-A1 COMPOUNDS FOR USE IN LIGHT EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2014-03-06 US disclosed