SCHEMBL9595086

SCHEMBL9595086

COc1ccc2nc3cc(OC)c(OC)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 3/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ TERT O14746 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ RET P07949 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ EGFR P00533 4/20 0.44
▸ ERBB2 P04626 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43

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
SCHEMBL9595260 0.94 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APDPK1
SCHEMBL9594471 0.93 TOP2A (0.66) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9592813 0.93 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APDPK1
SCHEMBL9593532 0.93 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APDPK1
SCHEMBL9595683 0.92 TOP2A (0.64) TOP2ATOP2BPDPK1RETKDR
SCHEMBL9594311 0.91 TOP2A (0.64) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594080 0.89 TOP2A (0.58) TOP2ATOP2BKDM1APDPK1RET
SCHEMBL9593418 0.89 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595254 0.89 TOP2A (0.75) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595513 0.88 TOP2A (0.59) TOP2ATOP2BCYP19A1KDM1APHLPP2

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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