SCHEMBL14528752

SCHEMBL14528752

Nc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14322127 0.89 SLC6A2 (0.32) AURKAAURKBINCENPKMT2A
SCHEMBL270836 0.80 SLC6A2 (0.44) KMT2A
SCHEMBL7470990 0.80 AURKA (0.32) AURKAAURKBINCENPMEN1MAPT
SCHEMBL19633885 0.79 ESR1 (0.38) MEN1MAPTKMT2ACYP3A4TAAR1
SCHEMBL440120 0.79 HTR2A (0.35) MEN1KMT2A
SCHEMBL10146241 0.79 GAA (0.39) MEN1MAPTKMT2ATDP1
SCHEMBL469142 0.79
SCHEMBL8737796 0.79
SCHEMBL17904266 0.78 CHRNB2 (0.39) KMT2A
SCHEMBL1345605 0.77 DAO (0.35) AURKAAURKBINCENPMAPT

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
WO-2007051947-A1 NOVEL ELECTROPOLYMERISABLE MONOMERS WHICH ARE SOLUBLE IN AN AQUEOUS SOLUTION AND COMPRISE A METALLOPORPHYRINE BIOMERIEUX (FR) 2007-05-10 WO disclosed