SCHEMBL16602007

SCHEMBL16602007

N#CC(C#N)=c1c(=O)c2ccc(-c3ccc(CO)cc3)c3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.56
▸ PRF1 P14222 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PRKDC P78527 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ TNF P01375 1/20 0.30

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
SCHEMBL16602019 0.90 MCL1 (0.53) MCL1CYP1A2CYP2C9CYP2C19
SCHEMBL16602012 0.89 MCL1 (0.52) MCL1PRKDC
SCHEMBL16601994 0.88 MCL1 (0.49) MCL1PRF1ACHEPDCD1CD274
SCHEMBL16602011 0.86 MCL1 (0.57) MCL1CYP1A2CYP2C9CYP2C19
SCHEMBL16602008 0.79 MCL1 (0.55) MCL1PRF1BRD4
SCHEMBL16602004 0.77 MCL1 (0.52) MCL1RXRARXRB
SCHEMBL14922765 0.74 MCL1 (0.67) MCL1CYP1A2
SCHEMBL16602049 0.73 MCL1 (0.50) MCL1
SCHEMBL16601998 0.73 MCL1 (0.47) MCL1RXRARXRB
SCHEMBL2367407 0.73 MCL1 (1.00) MCL1CYP1A2CYP2C9CYP2C19

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 — — US disclosed
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