SCHEMBL9592813

SCHEMBL9592813

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.55
▸ TOP2B Q02880 1/20 0.55
▸ CYP19A1 P11511 1/20 0.46
▸ KDM1A O60341 4/20 0.45
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ TERT O14746 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 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
SCHEMBL9593532 0.96 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9593205 0.94 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9595086 0.93 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9593418 0.93 TOP2A (0.58) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594448 0.91 TOP2A (0.56) TOP2ATOP2BKDM1APARP1KMT2A
SCHEMBL9594484 0.91 TOP2A (0.57) TOP2ATOP2BKDM1ATP53PDPK1
SCHEMBL9593497 0.91 TOP2A (0.57) TOP2ATOP2BKDM1ATP53POLB
SCHEMBL9594471 0.90 TOP2A (0.66) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594317 0.90 TOP2A (0.55) TOP2ATOP2BCYP19A1KDM1APHLPP2
SCHEMBL9594422 0.89 HDAC1 (0.52) CYP19A1KDM1APHLPP2ADORA2ATERT

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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