SCHEMBL9594471

SCHEMBL9594471

COc1ccc2nc3ccc(OC)cc3c(Nc3cccc(CO)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.66
▸ TOP2B Q02880 3/20 0.66
▸ KDM1A O60341 4/20 0.53
▸ CYP19A1 P11511 1/20 0.51
▸ TERT O14746 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ PHLPP2 Q6ZVD8 2/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ EGFR P00533 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44

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
SCHEMBL9594311 0.95 TOP2A (0.64) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9595254 0.95 TOP2A (0.75) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9595513 0.94 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9593418 0.93 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9595086 0.93 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9594934 0.91 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9592813 0.90 TOP2A (0.55) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9593532 0.90 TOP2A (0.55) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9594095 0.90 TOP2A (0.66) TOP2ATOP2BKDM1ACYP19A1TERT
SCHEMBL9595112 0.89 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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