SCHEMBL3318878

SCHEMBL3318878

C[n+]1ccc(C=Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 9/20 1.00
ALDH1A1 P00352 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GLA P06280 1/20 0.62
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
ALPG P10696 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SLC22A2 O15244 1/20 0.54

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
SCHEMBL9777568 1.00 CHAT (1.00) CHATALDH1A1RAB9AKDM4EMAPT
Bromide SCHEMBL29216857 0.98 CHAT (0.95) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL10001242 0.89 CHAT (0.80) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL12519753 0.89 CHAT (0.80) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL30612471 0.87 CHAT (0.76) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL16263358 0.82 CHAT (0.68) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL15624229 0.82 CHAT (0.68) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL11032707 0.82 CHAT (0.67) CHATALDH1A1RAB9AKDM4EMAPT
Styrene SCHEMBL2988659 0.81 HDAC8 (0.82) CHATALDH1A1RAB9AKDM4EMAPT
SCHEMBL12364525 0.78 CHAT (0.64) CHATALDH1A1RAB9AKDM4EMAPT

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 6 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-6558736-B2 Vapor deposition in vacuum THE TRUSTEES OF PRINCETON UNIVERSITY 2003-05-06 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
US-5061603-A For productionof screen for screen printing; grafted pyridinium alcohols SERICOL GROUP LIMITED (GB) 1991-10-29 US disclosed
EP-0373862-A1 Photocurable compositions SERICOL LIMITED (GB) 1990-06-20 EP disclosed