SCHEMBL9595701

SCHEMBL9595701

COc1ccc2c(Nc3ccc(CO)cc3)c3ccc(C)cc3nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.54
▸ KMT2A Q03164 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ RAD52 P43351 2/20 0.50
▸ GFER P55789 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ACHE P22303 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41

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
SCHEMBL9593226 0.94 HDAC1 (0.57) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9595076 0.94 HDAC1 (0.55) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594489 0.94 KDM1A (0.59) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594322 0.90 KDM1A (0.53) KDM1AKMT2AHDAC1HDAC6MEN1
SCHEMBL9594406 0.89 KDM1A (0.53) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594305 0.89 PHLPP2 (0.61) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594991 0.88 KDM1A (0.54) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594389 0.88 KDM1A (0.69) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9595077 0.87 TOP2A (0.59) KDM1AKMT2APOLBRAD52GFER
SCHEMBL9594500 0.87 KDM1A (0.49) KDM1AKMT2APOLBHDAC1HDAC6

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 3 patents. 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 claimed
US-5229395-A Potential anticancer agents derived from acridine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-07-20 — — US disclosed
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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