SCHEMBL9594422

SCHEMBL9594422

COc1ccc2nc3cc(OC)c(C)cc3c(Nc3ccc(CO)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ PHLPP2 Q6ZVD8 2/20 0.51
▸ KDM1A O60341 5/20 0.50
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAD52 P43351 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ TERT O14746 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9594286 0.96 HDAC1 (0.52) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9594922 0.94 KDM1A (0.50) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9594446 0.92 HDAC1 (0.54) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9595381 0.92 HDAC1 (0.54) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9592705 0.90 MEN1 (0.46) HDAC1HDAC6KDM1AKMT2APOLB
SCHEMBL9594205 0.90 KDM1A (0.48) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9593806 0.90 KDM1A (0.54) KDM1AKMT2APOLBRAD52MAPT
SCHEMBL9594191 0.90 KDM1A (0.59) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9592115 0.89 KDM1A (0.50) HDAC1HDAC6PHLPP2KDM1AKMT2A
SCHEMBL9592813 0.89 TOP2A (0.55) HDAC1HDAC6PHLPP2KDM1AKMT2A

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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