SCHEMBL7964071

SCHEMBL7964071

COC(=O)c1c(C#N)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.39
CYP11B1 P15538 8/20 0.39
CYP19A1 P11511 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SQOR Q9Y6N5 1/20 0.36

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
SCHEMBL7961877 0.89 CYP11B2 (0.40) CYP11B2CYP11B1CYP19A1CYP3A4ADORA1
SCHEMBL8329319 0.87 CYP11B2 (0.38) CYP11B2CYP11B1ADORA2AADORA1KMT2A
SCHEMBL7965727 0.86 MKNK1 (0.38) CYP11B2CYP11B1ADORA2AADORA1
SCHEMBL7963752 0.86 SLC2A1 (0.39) CYP11B2CYP11B1CYP19A1CYP3A4GABRA1
SCHEMBL7964018 0.85 GABRA1 (0.40) CYP11B2CYP11B1CYP19A1CYP3A4GABRA1
SCHEMBL7963232 0.85 NR4A2 (0.39) CYP11B2CYP11B1CYP19A1HTR2AHTR2C
SCHEMBL7965769 0.83 CFTR (0.41) CYP11B2CYP11B1CYP19A1CYP3A4HTR2A
SCHEMBL7962786 0.82 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1CYP3A4ADORA2A
SCHEMBL7967763 0.81 HCRTR1 (0.35) CYP11B2HTR2AHTR2CMEN1KMT2A
SCHEMBL7952832 0.81 HCRTR1 (0.34) HTR2AHTR2CMEN1KMT2AALDH1A1

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