SCHEMBL11260654

SCHEMBL11260654

CC(=O)OCCOC(=O)c1cc(Br)c(N)c(CN(C)C)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TTR P02766 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL11268609 0.97 MAPT (0.35) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11261972 0.96 TP53 (0.35) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11266928 0.91 TSHR (0.36) MAPTLMNATP53SMN1; SMN2PTGS2
SCHEMBL11259692 0.88 SMN1; SMN2 (0.37) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11265476 0.88 TP53 (0.38) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11271896 0.88 TP53 (0.38) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11263663 0.88 ABCB11 (0.43) MAPTLMNAKMT2ARAB9AKDM4E
SCHEMBL11263417 0.88 SMN1; SMN2 (0.37) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11266953 0.88 SMN1; SMN2 (0.36) HPGDMAPTLMNATP53SMN1; SMN2
SCHEMBL11261658 0.88 TP53 (0.37) MAPTLMNATP53SMN1; SMN2KMT2A

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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