SCHEMBL9594191

SCHEMBL9594191

COc1ccc2nc3ccc(OC)cc3c(Nc3ccc(CO)cc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.59
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ PHLPP2 Q6ZVD8 2/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 2/20 0.56
▸ RAD52 P43351 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ TERT O14746 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ RAF1 P04049 1/20 0.46

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
SCHEMBL9594305 0.95 PHLPP2 (0.61) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594991 0.94 KDM1A (0.54) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594504 0.94 KDM1A (0.69) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594446 0.93 HDAC1 (0.54) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9595381 0.93 HDAC1 (0.54) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9593226 0.91 HDAC1 (0.57) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594422 0.90 HDAC1 (0.52) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594286 0.90 HDAC1 (0.52) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594489 0.89 KDM1A (0.59) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9595076 0.88 HDAC1 (0.55) KDM1AHDAC1HDAC6PHLPP2KMT2A

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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