SCHEMBL9595379

SCHEMBL9595379

COc1ccc2c(Nc3cccc(CO)c3)c3cc(C)c(C)cc3nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.58
▸ TOP2B Q02880 3/20 0.58
▸ KDM1A O60341 5/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 2/20 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
SCHEMBL9593418 0.94 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9594095 0.93 TOP2A (0.66) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9593205 0.93 TOP2A (0.55) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9594317 0.93 TOP2A (0.55) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9594311 0.91 TOP2A (0.64) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9595077 0.90 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9595112 0.89 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9595260 0.89 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1PHLPP2
SCHEMBL9592886 0.89 TOP2A (0.75) TOP2ATOP2BKDM1ACYP19A1KMT2A
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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