SCHEMBL22035592

SCHEMBL22035592

Cc1nc(-c2ccc(C#N)c(F)c2)cn(C)c1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.63
CYP11B2 P19099 13/20 0.52
CYP11B1 P15538 12/20 0.52

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
SCHEMBL22035590 0.78 KDM1A (0.72) KDM1ACYP11B2CYP11B1
SCHEMBL17375985 0.78 KDM1A (1.00) KDM1A
SCHEMBL30790422 0.70 CYP11B2 (0.47) KDM1ACYP11B2CYP11B1
SCHEMBL25975389 0.70 CYP11B2 (0.47) KDM1ACYP11B2CYP11B1
SCHEMBL20459955 0.69 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL18297999 0.68 CYP11B2 (0.67) CYP11B2CYP11B1
SCHEMBL20459995 0.68 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL9151348 0.67 CYP11B2 (0.66) CYP11B2CYP11B1
SCHEMBL22035587 0.67 KDM1A (0.45) KDM1ACYP11B2CYP11B1
SCHEMBL16771978 0.67 TRPV4 (0.52) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160956-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2020-05-27 EP disclosed