SCHEMBL9755351

SCHEMBL9755351

COc1ccc2cc3c(Nc4ccccc4)c(CO)c(OC)cc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAD52 P43351 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PDGFRB P09619 2/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PLAU P00749 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ TERT O14746 1/20 0.40

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
SCHEMBL9755466 0.89 KDM1A (0.42) KDM1AKMT2APOLBRAD52PDGFRB
SCHEMBL9755380 0.89 POLB (0.47) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755438 0.83 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755338 0.83 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755378 0.80 KDM1A (0.44) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755321 0.75 ACHE (0.47) KDM1AKMT2AMEN1KDM4EALDH1A1
SCHEMBL9592698 0.74 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594446 0.74 HDAC1 (0.54) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9755355 0.74 KDM1A (0.50) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9595260 0.74 TOP2A (0.58) 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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