SCHEMBL7954992

SCHEMBL7954992

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.41
P2RX7 Q99572 4/20 0.39
CYP11B1 P15538 4/20 0.38
CYP2A6 P11509 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP17A1 P05093 1/20 0.34
CYP21A2 P08686 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8603547 0.90 MKNK1 (0.38) CYP11B2P2RX7CYP11B1CYP2A6CYP2C9
SCHEMBL7953077 0.89 MKNK1 (0.40) CYP11B2P2RX7KCNH2
SCHEMBL7954753 0.88 NR4A2 (0.41) CYP11B2P2RX7CYP11B1MAPK1
SCHEMBL7963731 0.87 CYP11B2 (0.39) CYP11B2P2RX7CYP11B1CYP2A6CYP3A4
SCHEMBL7963276 0.82 CYP11B2 (0.39) CYP11B2P2RX7CYP11B1CYP2A6CYP3A4
SCHEMBL7954864 0.79 CYP11B2 (0.42) CYP11B2P2RX7CYP11B1CYP2A6CYP3A4
SCHEMBL8330546 0.78 CYP11B2 (0.37) CYP11B2P2RX7CYP11B1CYP3A4CYP17A1
SCHEMBL7967737 0.78 MKNK1 (0.39) CYP11B2P2RX7KCNH2
SCHEMBL7961290 0.78 DHODH (0.33) P2RX7
SCHEMBL7592502 0.78 CYP11B2 (0.42) CYP11B2CYP11B1TSHRMAPK1

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 disclosed
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed