SCHEMBL9595308

SCHEMBL9595308

Cc1ccc2nc3ccc(C)cc3c(Nc3ccc(CO)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.56
▸ ACHE P22303 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ TOP2B Q02880 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9595042 0.95 KDM1A (0.55) KDM1AACHETOP2ATOP2B
SCHEMBL9594083 0.93 KDM1A (0.67) KDM1ATOP2ATOP2B
SCHEMBL9594310 0.93 KDM1A (0.51) KDM1AACHEPOLBGAARAD52
SCHEMBL9594991 0.90 KDM1A (0.54) KDM1APOLBGAARAD52
SCHEMBL9594824 0.89 SLC2A1 (0.48) KDM1AACHE
SCHEMBL9594322 0.88 KDM1A (0.53) KDM1AACHEGAATOP2ATOP2B
SCHEMBL9594919 0.87 MEN1 (0.46) KDM1AACHEPOLBGAARAD52
SCHEMBL9592705 0.87 MEN1 (0.46) KDM1AACHEPOLBGAARAD52
SCHEMBL9595076 0.87 HDAC1 (0.55) KDM1APOLBRAD52
SCHEMBL9594932 0.85 KDM1A (0.65) KDM1AACHEGAATOP2ATOP2B

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 1 patent. 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
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