SCHEMBL11230768

SCHEMBL11230768

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=O)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.61
ALDH1A1 P00352 6/20 0.52
ALDH3A1 P30838 1/20 0.52
ALDH1A3 P47895 1/20 0.52
CYP2A13 Q16696 1/20 0.50
TRPM8 Q7Z2W7 2/20 0.47
MAPT P10636 3/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL14047565 1.00 CYP2A6 (0.61) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL18892841 1.00 CYP2A6 (0.61) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL5354776 1.00 CYP2A6 (0.61) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL19222015 1.00 CYP2A6 (0.61) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL7750929 0.95 CYP2A6 (0.55) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL17755573 0.95 CYP2A6 (0.55) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL18892895 0.95 CYP2A6 (0.55) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL3340810 0.92 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL13158697 0.92 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13
SCHEMBL339173 0.92 CYP2A6 (0.73) CYP2A6ALDH1A1ALDH3A1ALDH1A3CYP2A13

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-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US disclosed