SCHEMBL7963232

SCHEMBL7963232

COC(=O)c1c(Cl)c(-c2cccnc2)n2c1C=CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP11B2 P19099 4/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MAPK1 P28482 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PSMD14 O00487 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7964018 0.89 GABRA1 (0.40) NR4A2ALDH1A1CYP11B2CYP19A1CYP11B1
SCHEMBL7963752 0.88 SLC2A1 (0.39) NR4A2ALDH1A1CYP11B2CYP19A1CYP11B1
SCHEMBL7963276 0.88 CYP11B2 (0.39) ALDH1A1CYP11B2CYP11B1MAPK1HSD17B10
SCHEMBL8328721 0.87 MKNK1 (0.38) ALDH1A1CYP11B2P2RX7
SCHEMBL2158254 0.86 MKNK1 (0.43) CYP11B2P2RX7
SCHEMBL7964071 0.85 CYP11B2 (0.39) ALDH1A1CYP11B2CYP19A1CYP11B1GABRA1
SCHEMBL7965769 0.85 CFTR (0.41) NR4A2ALDH1A1CYP11B2CYP19A1CYP11B1
SCHEMBL7954753 0.83 NR4A2 (0.41) NR4A2ALDH1A1CYP11B2CYP19A1CYP11B1
SCHEMBL7962927 0.81 NR4A2 (0.40) NR4A2ALDH1A1CYP11B2CYP19A1CYP11B1
SCHEMBL7965862 0.81 IDO1 (0.35) ALDH1A1MAPK1HSP90AA1HSP90B1MEN1

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