SCHEMBL9594080

SCHEMBL9594080

COc1cc2nc3ccc(C)cc3c(Nc3cccc(CO)c3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.58
▸ TOP2B Q02880 1/20 0.58
▸ CSF1R P07333 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ EGFR P00533 7/20 0.45
▸ ERBB2 P04626 4/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ RET P07949 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ EPHB2 P29323 1/20 0.42
▸ KIF5B P33176 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TTBK1 Q5TCY1 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL9594330 0.94 TOP2A (0.56) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9594448 0.94 TOP2A (0.56) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9595752 0.94 TOP2A (0.58) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9595683 0.92 TOP2A (0.64) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9594725 0.90 TOP2A (0.71) TOP2ATOP2BTP53MAPTKDM1A
SCHEMBL9595086 0.89 TOP2A (0.58) TOP2ATOP2BPDPK1EGFRERBB2
SCHEMBL9593866 0.89 TOP2A (0.57) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9593668 0.89 TOP2A (0.57) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9594484 0.89 TOP2A (0.57) TOP2ATOP2BCSF1RTP53MAPT
SCHEMBL9595513 0.88 TOP2A (0.59) TOP2ATOP2BTP53MAPTKDM1A

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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