SCHEMBL7346248

SCHEMBL7346248

NC(=O)c1cc2c([nH]c1=O)Cc1cnccc1-2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC7 O00311 7/20 0.39
CCNC P24863 7/20 0.36
CDK8 P49336 7/20 0.36
HASPIN Q8TF76 4/20 0.36
CDK19 Q9BWU1 4/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ROCK2 O75116 1/20 0.35
DAO P14920 2/20 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
SCHEMBL7347683 0.87 KDM4E (0.43) SIRT3TDP1CDC7CCNCCDK8
SCHEMBL7340109 0.81 BCAT2 (0.40) KDM4E
SCHEMBL7337644 0.81 AURKB (0.46) CDC7CCNCCDK8KDM4EHTT
SCHEMBL7338656 0.78 CYP11B2 (0.36) SIRT3TDP1CDC7CCNCCDK8
SCHEMBL7341653 0.78 PKN2 (0.32) CDC7CYP11B2DAO
SCHEMBL7346574 0.76 KDM4E (0.39) CDC7CYP11B2KDM4EROCK2DAO
SCHEMBL7346618 0.75 AURKA (0.36) TDP1KDM4E
SCHEMBL7339359 0.75 KDM4E (0.49) CYP11B2KDM4E
SCHEMBL7348959 0.74 CSNK1A1 (0.39) CYP11B2KDM4E
SCHEMBL7339006 0.72 NOTUM (0.44) KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed