SCHEMBL9595077

SCHEMBL9595077

COc1ccc2c(Nc3cccc(CO)c3)c3ccc(C)cc3nc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.59
▸ TOP2B Q02880 3/20 0.59
▸ KDM1A O60341 4/20 0.48
▸ CYP19A1 P11511 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ ACHE P22303 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
SCHEMBL9595112 0.95 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9594934 0.95 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9594095 0.94 TOP2A (0.66) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9595489 0.91 TOP2A (0.71) TOP2ATOP2BKDM1AKMT2APOLB
SCHEMBL9595379 0.90 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9592886 0.90 TOP2A (0.75) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9594311 0.90 TOP2A (0.64) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9595513 0.89 TOP2A (0.59) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9595260 0.88 TOP2A (0.58) TOP2ATOP2BKDM1ACYP19A1KMT2A
SCHEMBL9595752 0.88 TOP2A (0.58) TOP2ATOP2BKDM1APOLBRAD52

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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