SCHEMBL9755348

SCHEMBL9755348

COc1cc2nc3c(CO)c(OC)c(OC)c(Nc4ccccc4)c3cc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ HDAC3 O15379 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ EGFR P00533 3/20 0.37

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
SCHEMBL9755394 0.94 POLB (0.44) POLBRAD52HDAC3APPACHE
SCHEMBL9755331 0.86 ACHE (0.39) POLBRAD52ACHEMAPTKDM1A
SCHEMBL9755411 0.83 POLB (0.47) POLBRAD52HDAC3APPACHE
SCHEMBL9755373 0.79 ACHE (0.39) POLBRAD52ACHEMAPTKDM1A
SCHEMBL9755334 0.79 ACHE (0.38) POLBRAD52ACHEMAPTKDM1A
SCHEMBL9755340 0.79 ACHE (0.38) POLBRAD52ACHEMAPTKDM1A
SCHEMBL9755410 0.78 KDM1A (0.41) POLBRAD52MAPTNPC1PDGFRB
SCHEMBL9755402 0.74 KDM1A (0.43) POLBRAD52MAPTNPC1PDGFRB
SCHEMBL9755378 0.74 KDM1A (0.44) POLBRAD52MAPTNPC1PDGFRB
SCHEMBL9755466 0.72 KDM1A (0.42) POLBRAD52ACHEMAPTNUDT1

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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