SCHEMBL19669948

SCHEMBL19669948

Cc1ccc(N(c2ccccc2-c2ccccc2)c2cccc3c2-c2c(ccc4c2oc2ccccc24)-c2ccccc2-c2ccccc2-3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
PGR P06401 1/20 0.34
MAOB P27338 2/20 0.33
CDC14B O60729 1/20 0.31
CDC14A Q9UNH5 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
GGPS1 O95749 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
TP53 P04637 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16641966 0.89 ALOX5 (0.39) ALOX5MAOBCDC14BCDC14ATNKS
SCHEMBL20441834 0.83 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441691 0.83 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441679 0.83 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441836 0.83 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL16491852 0.83 ALOX5 (0.32) ALOX5PGRMAOB
SCHEMBL20441828 0.81 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441833 0.81 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441687 0.81 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1
SCHEMBL20441686 0.81 ALOX5 (0.38) ALOX5PGRCDC14BCDC14AGGPS1

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-9837617-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2017-12-05 US disclosed