SCHEMBL10880552

SCHEMBL10880552

Cc1cccc2ncccc12.Cc1cnc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
ALDH1A1 P00352 4/20 0.54
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
CCR5 P51681 1/20 0.46
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
CYP2A6 P11509 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
TGFBR1 P36897 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 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
SCHEMBL29893624 0.80 CYP1A2 (1.00) CYP1A2ALDH1A1CCR1CCR8CCR5
SCHEMBL129944 0.80 MAPT (0.58) CYP1A2ALDH1A1CYP3A4KDM4ECYP2A6
SCHEMBL2938 0.80 CYP1A2 (1.00) CYP1A2ALDH1A1CCR1CCR8CCR5
Quinoline SCHEMBL11393383 0.79 ALDH1A1 (0.63) CYP1A2ALDH1A1CCR1CCR8CCR5
Quinoline SCHEMBL28269722 0.79 ALDH1A1 (0.63) CYP1A2ALDH1A1CCR1CCR8CCR5
SCHEMBL3773100 0.79 ALDH1A1 (0.72) CYP1A2ALDH1A1CCR1CCR8CCR5
Ammonia Solution, Strong SCHEMBL27607990 0.79 CYP1A2 (0.96) CYP1A2ALDH1A1CCR1CCR8CCR5
Hydrogen Sulfide SCHEMBL27587726 0.79 CYP1A2 (0.96) CYP1A2ALDH1A1CCR1CCR8CCR5
Hydrogen Sulfide SCHEMBL27577867 0.79 MAPT (0.56) CYP1A2ALDH1A1CYP3A4KDM4ECYP2A6
SCHEMBL27598199 0.79 MAPT (0.56) CYP1A2ALDH1A1CYP3A4KDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076088-B1 A PHOTOCONDUCTIVE COMPOSITION AND A PHOTOCONDUCTIVE ELEMENT COMPRISING THE COMPOSITION EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-03-19 EP disclosed
US-4394428-A IMPROVED QUANTUM EFFICIENCY EASTMAN KODAK COMPANY (US) 1983-07-19 US disclosed
EP-0076088-A2 A photoconductive composition and a photoconductive element comprising the composition EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-04-06 EP disclosed