SCHEMBL9594824

SCHEMBL9594824

COc1cc2nc3ccc(C)cc3c(Nc3ccc(CO)cc3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ KDM1A O60341 3/20 0.47
▸ MAP2K1 Q02750 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDPK1 O15530 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ACHE P22303 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
SCHEMBL9592705 0.93 MEN1 (0.46) SLC2A1EGFRERBB2KDM1AMEN1
SCHEMBL9594919 0.93 MEN1 (0.46) SLC2A1EGFRERBB2KDM1AMEN1
SCHEMBL9594500 0.93 KDM1A (0.49) SLC2A1EGFRERBB2KDM1AMAP2K1
SCHEMBL9593647 0.92 KDM1A (0.50) SLC2A1EGFRERBB2KDM1AMAP2K1
SCHEMBL9595308 0.89 KDM1A (0.56) KDM1AACHE
SCHEMBL9594446 0.88 HDAC1 (0.54) EGFRKDM1AMAP2K1MEN1KMT2A
SCHEMBL9593806 0.88 KDM1A (0.54) SLC2A1EGFRERBB2KDM1AMAP2K1
SCHEMBL9594474 0.88 KDM1A (0.51) SLC2A1EGFRERBB2KDM1AMAP2K1
SCHEMBL9594966 0.88 KDM1A (0.54) SLC2A1EGFRERBB2KDM1AMAP2K1
SCHEMBL9594080 0.88 TOP2A (0.58) EGFRERBB2KDM1APDPK1

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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