SCHEMBL5216031

SCHEMBL5216031

CC(N)c1cccc(-c2ccncc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
CYP17A1 P05093 4/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NOTUM Q6P988 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRKCI P41743 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSA P10619 2/20 0.43
LARS1 Q9P2J5 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 2/20 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
SCHEMBL5888495 1.00 KIF11 (0.49) KIF11CYP17A1PSEN1PSEN2APH1B
SCHEMBL84433 0.85 RXRA (0.54) KIF11CYP17A1PSEN1PSEN2APH1B
SCHEMBL1252080 0.84 RXRA (0.49) CTSLCTSSCTSKLMNARXRA
SCHEMBL10145754 0.84 RXRA (0.49) CTSLCTSSCTSKLMNARXRA
SCHEMBL5218298 0.82 MKNK1 (0.56) CYP17A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5848606 0.82 MKNK1 (0.56) CYP17A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5656094 0.80 CTSK (0.46) CTSKRXRARXRBRXRGIRAK4
SCHEMBL5888510 0.80 CTSK (0.46) CTSKRXRARXRBRXRGIRAK4
SCHEMBL17834279 0.79 KIF11 (0.50) KIF11CYP17A1PSEN1PSEN2APH1B
SCHEMBL11203809 0.79 RXRA (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800565-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2014-11-12 EP disclosed
EP-2739608-A1 INSULIN SECRETION PROMOTING AGENTS Centre Hospitalier de l'Université de Montréal (CA) 2014-06-11 EP disclosed
WO-2013103973-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-07-11 WO disclosed
WO-2013016807-A1 INSULIN SECRETION PROMOTING AGENTS CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2013-02-07 WO disclosed
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed