SCHEMBL7963752

SCHEMBL7963752

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
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
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 2/20 0.38
NR4A2 P43354 3/20 0.38
CFTR P13569 1/20 0.38
TSHR P16473 1/20 0.38
PSMD14 O00487 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL7963232 0.88 NR4A2 (0.39) SLC2A1ALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL7964018 0.88 GABRA1 (0.40) SLC2A1ALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL7963271 0.88 CYP2A6 (0.38) ALDH1A1CYP11B1CYP11B2MAPK1TSHR
SCHEMBL8328659 0.88 GPR35 (0.38) ALDH1A1CYP11B1CYP11B2TSHRHSD17B10
SCHEMBL7965530 0.87 MKNK1 (0.40) CYP11B2CYP3A4LMNA
SCHEMBL7964071 0.86 CYP11B2 (0.39) ALDH1A1CYP19A1CYP11B1CYP11B2GABRA1
SCHEMBL7965769 0.85 CFTR (0.41) ALDH1A1CYP19A1CYP11B1CYP11B2GABRA1
SCHEMBL8327786 0.80 CYP11B2 (0.37) CYP19A1CYP11B1CYP11B2GABRA1GABRG2
SCHEMBL7962951 0.80 CYP11B2 (0.37) CYP19A1CYP11B1CYP11B2GABRA1GABRG2
SCHEMBL7962850 0.80 MKNK1 (0.41) CYP19A1CYP11B1CYP11B2CYP3A4LMNA

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