SCHEMBL7659901

SCHEMBL7659901

CCOC(=O)/C(C#N)=C/N1c2ccccc2CC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 8/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
STAT1 P42224 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL7659907 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11585384 0.87 PKM (0.42) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL77023 0.87 NOTUM (0.44) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL77024 0.87 NOTUM (0.44) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL10681617 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL8408150 0.83 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL11587023 0.83 NOTUM (0.35) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL7095410 0.80 NOTUM (0.44) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL9419477 0.77 CYP1A2 (0.42) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL9419480 0.77 CYP1A2 (0.42) ALDH1A1MAPTKMT2AMEN1MAPK1

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-6489374-B1 ORGANONITROGEN COMPOUNDS THAT YIELD AMINES, IMINES OR AMIDINES WHEN EXPOSED TO VISIBLE OR ULTRAVIOLET RADIATION; POLYMERIZATION CATALYSTS USED IN ONE-POT SYSTEMS HAVING STORAGE STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-03 US disclosed
US-4123418-A BIS-(U8I8I8L8L-PENTAMETHY TETRAMETHYL-4-PIPERIDYL)-SUBERATE CIBA-GEIGY CORPORATION (US) 1978-10-31 US disclosed
US-4110304-A STERICALLY HINDERED CYCLIC AMINE CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed
US-4061631-A STABILIZER CIBA-GEIGY CORPORATION (US) 1977-12-06 US disclosed