SCHEMBL9594855

SCHEMBL9594855

COc1cc2nc3cc(C)ccc3c(Nc3ccc(CO)cc3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.47
▸ ACHE P22303 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAD52 P43351 1/20 0.39

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
SCHEMBL9592981 0.96 KDM1A (0.47) KDM1AACHEHDAC1HDAC6SLC2A1
SCHEMBL9592705 0.93 MEN1 (0.46) KDM1AACHEHDAC1HDAC6SLC2A1
SCHEMBL9594500 0.93 KDM1A (0.49) KDM1AACHEHDAC1HDAC6SLC2A1
SCHEMBL9593806 0.91 KDM1A (0.54) KDM1ASLC2A1EGFRERBB2DHFR
SCHEMBL9594205 0.91 KDM1A (0.48) KDM1AHDAC1HDAC6SLC2A1EGFR
SCHEMBL9594922 0.90 KDM1A (0.50) KDM1AACHEHDAC1HDAC6PHLPP2
SCHEMBL9594919 0.89 MEN1 (0.46) KDM1AACHEHDAC1HDAC6SLC2A1
SCHEMBL9595558 0.89 KDM1A (0.48) KDM1AHDAC1HDAC6SLC2A1EGFR
SCHEMBL9594966 0.89 KDM1A (0.54) KDM1ASLC2A1EGFRERBB2POLB
SCHEMBL9595398 0.88 KDM1A (0.51) KDM1AACHETOP2ATOP2B

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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