SCHEMBL9593418

SCHEMBL9593418

COc1ccc2nc3cc(C)c(C)cc3c(Nc3cccc(CO)c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.58
▸ TOP2B Q02880 1/20 0.58
▸ CYP19A1 P11511 1/20 0.48
▸ KDM1A O60341 5/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ TERT O14746 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL9595379 0.94 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594471 0.93 TOP2A (0.66) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9593532 0.93 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9592813 0.93 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594311 0.91 TOP2A (0.64) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595513 0.90 TOP2A (0.59) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594934 0.89 TOP2A (0.59) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595086 0.89 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595254 0.89 TOP2A (0.75) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9593755 0.89 TOP2A (0.68) TOP2ATOP2BKDM1AKMT2APOLB

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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