SCHEMBL3317628

SCHEMBL3317628

CCc1cccc[n+]1C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.41
RELA Q04206 2/20 0.37
TP53 P04637 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3319557 0.76 CHAT (0.45) CHATRELAMAOBRAB9ANPC1
SCHEMBL4666033 0.76 MAOB (0.43) CHATMAOBIDO1RAB9ANPC1
Hydrochloric Acid SCHEMBL29098366 0.72 HDAC8 (0.35) TP53KDM4E
Bromide SCHEMBL9853476 0.72 HDAC8 (0.35) TP53
Iodide SCHEMBL11385773 0.72 HDAC8 (0.35) TP53
SCHEMBL8625483 0.72 CHAT (0.41) CHATMAOBALDH1A1GLAMAPT
SCHEMBL8607279 0.71 RELA (0.44) CHATRELAMAOBRAB9ANPC1
Alcohol SCHEMBL11435493 0.70 CHAT (0.44) CHATRELAMAOBRAB9ANPC1
Alcohol SCHEMBL11435491 0.70 CHAT (0.44) CHATRELAMAOBRAB9ANPC1
SCHEMBL16538878 0.70 CHAT (0.48) CHATMAOBRAB9ANPC1CHRNA7

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
US-20150114296-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-04-30 US disclosed
US-20100104753-A1 LOW PRESSURE VAPOR PHASE DEPOSITION OF ORGANIC THIN FILMS FORREST STEPHEN R 2010-04-29 US disclosed
US-6337102-B1 PROVIDING A FIRST CARRIER GAS STREAM; VOLATILIZING A FIRST ORGANIC SMALL MOLECULE MATERIAL INTO THE FIRST CARRIER GAS STREAM; PASSING THE FIRST CARRIER GAS STREAM THROUGH AN APPARATUS; PASSING GAS STREAM OVER SUBSTRATE; DEPOSITING THE TRUSTEES OF PRINCETON UNIVERSITY 2002-01-08 US disclosed