SCHEMBL9594922

SCHEMBL9594922

COc1ccc2c(Nc3ccc(CO)cc3)c3cc(C)c(OC)cc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PHLPP2 Q6ZVD8 2/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL9592115 0.96 KDM1A (0.50) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594422 0.94 HDAC1 (0.52) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9592698 0.92 KDM1A (0.53) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594406 0.92 KDM1A (0.53) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594855 0.90 KDM1A (0.47) KDM1AHDAC1HDAC6PHLPP2POLB
SCHEMBL9594205 0.90 KDM1A (0.48) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9593806 0.90 KDM1A (0.54) KDM1AKMT2APOLBRAD52MAPT
SCHEMBL9594489 0.90 KDM1A (0.59) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9594286 0.89 HDAC1 (0.52) KDM1AHDAC1HDAC6PHLPP2KMT2A
SCHEMBL9593205 0.89 TOP2A (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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