SCHEMBL7964582

SCHEMBL7964582

NC(=O)c1c(Cl)c(-c2cccnc2)n2c1[C@@H](O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.43
KCNH2 Q12809 2/20 0.39
MKNK1 Q9BUB5 5/20 0.39
MKNK2 Q9HBH9 5/20 0.39
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SIRT4 Q9Y6E7 1/20 0.36
ATM Q13315 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
OPRK1 P41145 4/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL7964580 1.00 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL2158122 1.00 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL8325325 0.90 CYP11B2 (0.39) CYP11B2KCNH2MKNK1MKNK2FPR1
SCHEMBL7967732 0.89 CYP11B2 (0.39) CYP11B2KCNH2FPR1FPR2ALDH1A1
SCHEMBL7964715 0.87 CYP11B2 (0.43) CYP11B2KCNH2MKNK1MKNK2F7
SCHEMBL7962101 0.86 NR4A2 (0.40) CYP11B2FPR1FPR2ALDH1A1
SCHEMBL2157354 0.85 MKNK1 (0.39) CYP11B2KCNH2MKNK1MKNK2ATM
SCHEMBL7952126 0.85 CYP11B2 (0.41) CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL7963297 0.84 MKNK1 (0.42) CYP11B2MKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7962238 0.84 CYP11B2 (0.41) CYP11B2KCNH2MKNK1MKNK2ATM

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 1 patent. 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