SCHEMBL9755331

SCHEMBL9755331

COc1c(OC)c(CO)c2nc3cc(C)ccc3cc2c1Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ RAD52 P43351 2/20 0.38
▸ KDM1A O60341 6/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ GFER P55789 1/20 0.35
▸ PLAU P00749 1/20 0.35

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
SCHEMBL9755340 0.93 ACHE (0.38) ACHEPOLBRAD52KDM1AKMT2A
SCHEMBL9755334 0.93 ACHE (0.38) ACHEPOLBRAD52KDM1AKMT2A
SCHEMBL9755348 0.86 POLB (0.42) ACHEPOLBRAD52KDM1AMAPT
SCHEMBL9755394 0.86 POLB (0.44) ACHEPOLBRAD52KDM1AMAPT
SCHEMBL9755373 0.84 ACHE (0.39) ACHEPOLBRAD52KDM1AKMT2A
SCHEMBL9755414 0.82 KDM1A (0.45) ACHEPOLBRAD52KDM1AKMT2A
SCHEMBL9755466 0.80 KDM1A (0.42) ACHEPOLBRAD52KDM1AKMT2A
SCHEMBL9755378 0.79 KDM1A (0.44) POLBRAD52KDM1AKMT2AMEN1
SCHEMBL9755410 0.77 KDM1A (0.41) POLBRAD52KDM1AKMT2AMEN1
SCHEMBL9755321 0.77 ACHE (0.47) ACHEKDM1AKMT2AMEN1NPSR1

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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