SCHEMBL9755411

SCHEMBL9755411

COc1cc2nc3cc(CO)c(OC)c(Nc4ccccc4)c3cc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ RAD52 P43351 2/20 0.47
▸ HDAC3 O15379 1/20 0.43
▸ APP P05067 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ NUDT1 P36639 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TOP2A P11388 2/20 0.40
▸ TOP2B Q02880 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 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
SCHEMBL9755350 0.85 KDM1A (0.45) POLBRAD52ACHETOP2ATOP2B
SCHEMBL9755414 0.85 KDM1A (0.45) POLBRAD52ACHETOP2ATOP2B
SCHEMBL9755327 0.85 POLB (0.50) POLBRAD52HDAC3APPACHE
SCHEMBL9755348 0.83 POLB (0.42) POLBRAD52HDAC3APPACHE
SCHEMBL9755355 0.83 KDM1A (0.50) POLBRAD52HDAC1HDAC6MAPT
SCHEMBL9755338 0.83 KDM1A (0.53) POLBRAD52MAPTTOP2ATOP2B
SCHEMBL9755394 0.77 POLB (0.44) POLBRAD52HDAC3APPACHE
SCHEMBL9755466 0.74 KDM1A (0.42) POLBRAD52ACHENUDT1MAPT
SCHEMBL9755438 0.74 KDM1A (0.53) POLBRAD52MAPTTOP2ATOP2B
SCHEMBL9755380 0.73 POLB (0.47) POLBRAD52HDAC3APPACHE

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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