SCHEMBL9304856

SCHEMBL9304856

CCCCCC=Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTNNB1 P35222 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.36
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10588157 1.00 SOAT2 (0.37) SOAT2SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL9304851 1.00 SOAT2 (0.37) SOAT2SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL11761798 0.98 SOAT2 (0.40) SOAT2SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL11761790 0.98 SOAT2 (0.40) SOAT2SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL20211355 0.98 SOAT2 (0.40) SOAT2SOAT1CYP2C9CYP3A4CYP2D6
SCHEMBL11292213 0.94 ALDH1A1 (0.37) CYP2C9CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL1932454 0.90 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL637260 0.85 KDM4E (0.38) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL637259 0.85 KDM4E (0.38) ALDH1A1MEN1POLBKMT2AGAA
SCHEMBL6301891 0.80 KMT2A (0.33) CYP2C9ALDH1A1KMT2AKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 US disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 WO disclosed
EP-0325132-A1 Rhodium catalysts, process for their preparation and process for the preparation of optionally substituted diphenyl amine using the rhodium catalysts BAYER AG (DE) 1989-07-26 EP disclosed