SCHEMBL9755410

SCHEMBL9755410

COc1ccc2nc3c(CO)c(C)c(OC)c(Nc4ccccc4)c3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ RAD52 P43351 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37

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
SCHEMBL9755334 0.84 ACHE (0.38) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755378 0.83 KDM1A (0.44) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755373 0.82 ACHE (0.39) KDM1AKMT2APOLBRAD52MEN1
SCHEMBL9755355 0.80 KDM1A (0.50) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755337 0.78 KMT2A (0.42) KDM1AKMT2AMEN1KDM4E
SCHEMBL9755348 0.78 POLB (0.42) KDM1APOLBRAD52EGFRPDGFRB
SCHEMBL9755394 0.78 POLB (0.44) KDM1APOLBRAD52EGFRPDGFRB
SCHEMBL9755331 0.77 ACHE (0.39) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755340 0.76 ACHE (0.38) KDM1AKMT2APOLBRAD52MEN1

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
Send feedback