SCHEMBL7964018

SCHEMBL7964018

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPK1 P28482 1/20 0.38
NR4A2 P43354 3/20 0.37
SLC2A1 P11166 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 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
SCHEMBL7962951 0.90 CYP11B2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8327786 0.90 CYP11B2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7962850 0.89 MKNK1 (0.41) CYP19A1CYP11B1CYP11B2EGFRFGFR1
SCHEMBL7963232 0.89 NR4A2 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7963752 0.88 SLC2A1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7964071 0.85 CYP11B2 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7965769 0.85 CFTR (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7967142 0.79 IDO1 (0.34) MEN1KMT2AABL1
SCHEMBL7961242 0.79 IDO1 (0.34) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL7963276 0.79 CYP11B2 (0.39) ALDH1A1CYP11B1CYP11B2MAPK1CYP3A4

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