SCHEMBL7961452

SCHEMBL7961452

N#Cc1c(C#N)c2n(c1-c1cccnc1Cl)CCCC2O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.38
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 2/20 0.30
RECQL P46063 1/20 0.30
PDE4A P27815 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL7963738 0.92 KCNMA1 (0.37) KCNMA1DPP4
SCHEMBL7967718 0.90 KCNMA1 (0.36) KCNMA1DPP4RAB9A
SCHEMBL8329371 0.87 DPP4 (0.35) KCNMA1DPP4KDM4ERECQLALDH1A1
SCHEMBL7961349 0.87 KCNMA1 (0.34) KCNMA1DPP4KDM4EALDH1A1GAA
SCHEMBL7965321 0.87 KCNMA1 (0.34) KCNMA1DPP4KDM4E
SCHEMBL7964348 0.87 KDM4E (0.35) KCNMA1DPP4KDM4ERECQLALDH1A1
SCHEMBL7952967 0.87 DPP4 (0.35) KCNMA1DPP4KDM4ERECQLALDH1A1
SCHEMBL7961767 0.86 KCNMA1 (0.38) KCNMA1KDM4ERECQLPDE4A
SCHEMBL7963885 0.84 KCNMA1 (0.36) KCNMA1DPP4KDM4EALDH1A1GAA
SCHEMBL7962392 0.81 CYP11B2 (0.37) KCNMA1

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed