SCHEMBL14420501

SCHEMBL14420501

C1=CC(c2ccc(Nc3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cccc6ccccc56)cc4)cc3)cc2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.34
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CDC25B P30305 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 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
SCHEMBL23653880 0.93 SIGMAR1 (0.32)
SCHEMBL26376232 0.92 SIGMAR1 (0.32)
SCHEMBL26031030 0.91 SIGMAR1 (0.33)
SCHEMBL21780381 0.91 SIGMAR1 (0.33)
SCHEMBL12193642 0.91 SIGMAR1 (0.33)
SCHEMBL14420510 0.91 SIGMAR1 (0.33)
SCHEMBL24261994 0.89 CA12 (0.31)
SCHEMBL19595664 0.88 SIGMAR1 (0.32)
SCHEMBL14160240 0.85 SIGMAR1 (0.30)
SCHEMBL12955718 0.84 KDM1A (0.43) KDM1AEPHX2ALDH1A1TP53CYP3A4

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-1834945-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-09-19 EP disclosed