SCHEMBL29977013

SCHEMBL29977013

CNC(=O)CCC[S+]([O-])c1nc(-c2ccc(=O)n(Cc3ccc(OC)c(OC)c3)c2)cc(C(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 11/20 0.45
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ MAPK10 P53779 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CACNA1H O95180 1/20 0.33

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
SCHEMBL20985645 1.00 SDHB (0.45) SDHBTP53MAPTKMT2AMAPK10
SCHEMBL20985704 0.90 SDHB (0.47) SDHBTP53MAPT
SCHEMBL29976232 0.90 SDHB (0.47) SDHBTP53MAPT
SCHEMBL19805982 0.87 SDHB (0.46) SDHBTP53MAPTMAPK10KDM4E
SCHEMBL20985733 0.87 SDHB (0.49) SDHBTP53MAPT
SCHEMBL29975806 0.87 SDHB (0.49) SDHBTP53MAPT
SCHEMBL20985681 0.83 SDHB (0.54) SDHBTP53MAPT
SCHEMBL29975895 0.83 SDHB (0.54) SDHBTP53MAPT
SCHEMBL20985724 0.83 SDHB (0.63) SDHBTP53MAPTKMT2AKDM4E
SCHEMBL19806070 0.80 SDHB (0.62) SDHB

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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