SCHEMBL11175333

SCHEMBL11175333

CCC(C(=O)OCCOC(=O)c1cc(Br)c(N)c(CN(CC)C2CCCC2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ PTGS1 P23219 4/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ LMNA P02545 5/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL11191276 0.99 MEN1 (0.37) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11199131 0.99 MEN1 (0.37) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11200223 0.96 MEN1 (0.36) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11173021 0.96 MEN1 (0.36) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11178933 0.96 MEN1 (0.36) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11180792 0.96 MEN1 (0.36) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11189127 0.96 MEN1 (0.36) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11178139 0.94 MEN1 (0.35) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11183009 0.93 CYP3A4 (0.34) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL11181959 0.92 TSHR (0.34) MEN1KMT2AKDM4EPTGS1PTGS2

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
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
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