SCHEMBL11074795

SCHEMBL11074795

N=C(N)c1cc2c([nH]c1=O)CSc1cnccc1-2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.34
PIM1 P11309 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PKN2 Q16513 1/20 0.30

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
SCHEMBL7338656 0.79 CYP11B2 (0.36) CDC7CYP11B1CYP11B2PKN2
SCHEMBL7346574 0.77 KDM4E (0.39) CDC7CYP11B1CYP11B2PKN2
SCHEMBL7341653 0.77 PKN2 (0.32) CDC7CYP11B1CYP11B2PKN2
SCHEMBL11072613 0.70 MEN1 (0.37) PIM1
SCHEMBL7346248 0.68 SIRT3 (0.41) CDC7CYP11B2
SCHEMBL7347683 0.66 KDM4E (0.43) CDC7CYP11B2PKN2
SCHEMBL7342355 0.65 CES1 (0.40)
SCHEMBL11077780 0.65 CSNK1A1 (0.32)
SCHEMBL12210308 0.65 MAOA (0.39) CDC7PIM1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7337010 0.64 CES1 (0.39)

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-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed