SCHEMBL7963885

SCHEMBL7963885

COC(=O)c1c(C#N)c(-c2cccnc2Cl)n2c1C(O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.36
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
DPP4 P27487 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP30 Q70CQ3 1/20 0.34
OPRK1 P41145 3/20 0.32
BTK Q06187 1/20 0.32
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
MAPK10 P53779 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL7952967 0.90 DPP4 (0.35) KCNMA1HCRTR1HCRTR2DPP4ALDH1A1
SCHEMBL7962855 0.89 HCRTR1 (0.37) KCNMA1HCRTR1HCRTR2MEN1KMT2A
SCHEMBL8329371 0.89 DPP4 (0.35) KCNMA1HCRTR1HCRTR2DPP4ALDH1A1
SCHEMBL7964348 0.88 KDM4E (0.35) KCNMA1DPP4ALDH1A1HPGDMAPT
SCHEMBL7962103 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7961108 0.87 DHODH (0.35) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7962570 0.86 CDK5 (0.34) HCRTR2MEN1KMT2AALDH1A1LMNA
SCHEMBL7961452 0.84 KCNMA1 (0.38) KCNMA1DPP4ALDH1A1MAPTKDM4E
SCHEMBL7963301 0.83 HCRTR1 (0.34) HCRTR1MEN1KMT2AALDH1A1IDO1
SCHEMBL7961349 0.83 KCNMA1 (0.34) KCNMA1DPP4ALDH1A1HPGDMAPT

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