SCHEMBL9593549

SCHEMBL9593549

COc1cc2c(Nc3cccc(CO)c3)c3cc(C)c(C)cc3nc2cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.57
▸ TOP2B Q02880 3/20 0.57
▸ PDPK1 O15530 1/20 0.44
▸ KDM1A O60341 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ EGFR P00533 6/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAD52 P43351 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
SCHEMBL9593497 0.98 TOP2A (0.57) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9593668 0.95 TOP2A (0.57) TOP2ATOP2BPDPK1KDM1AMAPT
SCHEMBL9594484 0.95 TOP2A (0.57) TOP2ATOP2BPDPK1KDM1AMAPT
SCHEMBL9593866 0.95 TOP2A (0.57) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9594330 0.91 TOP2A (0.56) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9594830 0.91 TOP2A (0.56) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9593755 0.91 TOP2A (0.68) TOP2ATOP2BKDM1APOLBABCG2
SCHEMBL9593532 0.91 TOP2A (0.55) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9594317 0.91 TOP2A (0.55) TOP2ATOP2BPDPK1KDM1APOLB
SCHEMBL9595683 0.89 TOP2A (0.64) TOP2ATOP2BPDPK1MAPTEGFR

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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