SCHEMBL7962927

SCHEMBL7962927

COC(=O)c1c(Cl)c(-c2cccnc2)n2c1C=C(OC)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
CYP11B2 P19099 4/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR2C P28335 3/20 0.37
MAPK1 P28482 1/20 0.36
CYP17A1 P05093 1/20 0.36
P2RX7 Q99572 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 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
SCHEMBL7963731 0.91 CYP11B2 (0.39) NR4A2CYP11B2CYP19A1CYP11B1HTR2C
SCHEMBL8330546 0.91 CYP11B2 (0.37) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL7961775 0.90 MKNK1 (0.39) NR4A2CYP11B2CYP19A1CYP11B1HTR2C
SCHEMBL7954753 0.90 NR4A2 (0.41) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL7952692 0.82 IDO1 (0.36) MEN1KMT2AALDH1A1MAPK1HSP90AA1
SCHEMBL7963232 0.81 NR4A2 (0.39) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL7964663 0.80 CYP11B2 (0.41) CYP11B2CYP19A1CYP11B1MEN1KMT2A
SCHEMBL7961829 0.80 IDO1 (0.35) MEN1KMT2AALDH1A1MAPK1HSP90AA1
SCHEMBL7955055 0.78 KMT2A (0.55) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL7954992 0.78 CYP11B2 (0.41) CYP11B2CYP11B1MAPK1CYP17A1P2RX7

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