SCHEMBL9755350

SCHEMBL9755350

COc1c(CO)cc2nc3ccc(C)cc3cc2c1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.45
▸ POLB P06746 2/20 0.44
▸ RAD52 P43351 2/20 0.44
▸ ACHE P22303 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL9755414 0.91 KDM1A (0.45) KDM1APOLBRAD52ACHEKMT2A
SCHEMBL9755355 0.89 KDM1A (0.50) KDM1APOLBRAD52KMT2ANPSR1
SCHEMBL9755327 0.89 POLB (0.50) KDM1APOLBRAD52ACHEKMT2A
SCHEMBL9755371 0.86 KDM1A (0.48) KDM1AACHEKMT2ANPSR1TOP2A
SCHEMBL9755411 0.85 POLB (0.47) KDM1APOLBRAD52ACHEKMT2A
SCHEMBL9755338 0.83 KDM1A (0.53) KDM1APOLBRAD52KMT2ANPSR1
SCHEMBL9755373 0.79 ACHE (0.39) KDM1APOLBRAD52ACHEKMT2A
SCHEMBL9755399 0.77 KDM1A (0.48) KDM1AACHEKMT2ANPSR1TOP2A
SCHEMBL9755413 0.76 TOP2A (0.50) KDM1APOLBRAD52KMT2ATOP2A
SCHEMBL9755466 0.74 KDM1A (0.42) KDM1APOLBRAD52ACHEKMT2A

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
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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