SCHEMBL7952832

SCHEMBL7952832

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
KCNMA1 Q12791 1/20 0.33
IDO1 P14902 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90B1 P14625 1/20 0.31
SLC6A15 Q9H2J7 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 3/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL7963785 0.89 KDM4E (0.32) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL7967763 0.89 HCRTR1 (0.35) HCRTR1HCRTR2KCNMA1IDO1HTR2A
SCHEMBL8329854 0.88 DHODH (0.36) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL7967502 0.87 GAA (0.32) ALDH1A1KDM4EGAARAB9AMAPT
SCHEMBL7965862 0.87 IDO1 (0.35) IDO1ALDH1A1KDM4EMAPTMEN1
SCHEMBL7963830 0.86 DHODH (0.36) IDO1ALDH1A1KDM4EGAAMAPT
SCHEMBL7961242 0.85 IDO1 (0.34) IDO1KDM4ERAB9AMAPTMEN1
SCHEMBL7952188 0.83 IDO1 (0.35) IDO1KDM4EHSP90AA1HSP90B1TDP2
SCHEMBL7964888 0.82 CYP11B2 (0.32) KCNMA1ALDH1A1KDM4ERAB9AMAPT
SCHEMBL7964071 0.81 CYP11B2 (0.39) HTR2AHTR2CALDH1A1MEN1KMT2A

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