SCHEMBL9755378

SCHEMBL9755378

COc1ccc2cc3c(Nc4ccccc4)c(C)c(C)c(CO)c3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ EGFR P00533 3/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL9755402 0.92 KDM1A (0.43) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755410 0.83 KDM1A (0.41) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755340 0.82 ACHE (0.38) KDM1AKMT2APOLBRAD52MAPT
SCHEMBL9755334 0.82 ACHE (0.38) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755438 0.82 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755337 0.80 KMT2A (0.42) KDM1AKMT2AKDM4EMEN1HTT
SCHEMBL9755351 0.80 KDM1A (0.50) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755331 0.79 ACHE (0.39) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755373 0.76 ACHE (0.39) KDM1AKMT2APOLBRAD52KDM4E
SCHEMBL9755338 0.75 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER

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
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 — — WO disclosed
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