SCHEMBL9594474

SCHEMBL9594474

COc1cc2nc3cc(C)c(C)cc3c(Nc3ccc(CO)cc3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.51
▸ TP53 P04637 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ MAP2K1 Q02750 3/20 0.44
▸ EGFR P00533 2/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ CSF1R P07333 3/20 0.42
▸ DHFR P00374 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL9595558 0.95 KDM1A (0.48) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9594205 0.95 KDM1A (0.48) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9593806 0.95 KDM1A (0.54) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9594966 0.95 KDM1A (0.54) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9593647 0.94 KDM1A (0.50) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9593869 0.90 KDM1A (0.54) KDM1AMAPTPOLBRAD52KMT2A
SCHEMBL9594500 0.88 KDM1A (0.49) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9594824 0.88 SLC2A1 (0.48) KDM1APDPK1SLC2A1MAP2K1EGFR
SCHEMBL9593866 0.87 TOP2A (0.57) KDM1ATP53MAPTPOLBPDPK1
SCHEMBL9594855 0.86 KDM1A (0.47) KDM1APOLBRAD52SLC2A1EGFR

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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