SCHEMBL7955644

SCHEMBL7955644

Cc1c(C#N)c2n(c1-c1cccnc1F)CSC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.35
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP11B1 P15538 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK1G2 P78368 1/20 0.30
DHODH Q02127 1/20 0.30
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL7946431 0.80 ALDH1A1 (0.39) CYP11B2PDE2APDE10AKDM4E
SCHEMBL7955650 0.79 ABCC1 (0.42) CYP11B2KDM4EGFER
SCHEMBL7961423 0.74 CYP11B2 (0.37) CYP11B2PDE2APDE10ACYP11B1KDM4E
SCHEMBL7953127 0.71 KCNMA1 (0.36) CYP11B2PDE2APDE10ADHODH
SCHEMBL7946510 0.66 CYP11B2 (0.42) CYP11B2CYP11B1KDM4EKMT2A
SCHEMBL7946444 0.66 ALDH1A1 (0.43) CYP11B2KDM4EGFER
SCHEMBL7954831 0.66 ALDH1A1 (0.39) KDM4EMEN1KMT2A
SCHEMBL7960169 0.65 ABCC1 (0.42) KDM4EMEN1GFERKMT2A
SCHEMBL7946457 0.65 ALDH1A1 (0.42) CYP11B2KDM4EMEN1GFERKMT2A
SCHEMBL7967472 0.64 CYP11B2 (0.39) CYP11B2PDE2APDE10ACYP11B1CSNK1A1

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed