SCHEMBL16601994

SCHEMBL16601994

N#CC(C#N)=c1c(=O)c2ccc(-c3ccc(CO)cc3)c3c(-c4ccc(CO)cc4)ccc1c32

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.49
▸ BRD4 O60885 1/20 0.33
▸ PRF1 P14222 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ WEE1 P30291 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL16602007 0.88 MCL1 (0.56) MCL1BRD4PRF1ACHEPDCD1
SCHEMBL16602049 0.84 MCL1 (0.50) MCL1
SCHEMBL16602014 0.80 MCL1 (0.43) MCL1CHEK1
SCHEMBL16602019 0.78 MCL1 (0.53) MCL1
SCHEMBL16601998 0.76 MCL1 (0.47) MCL1CHEK1
SCHEMBL16601996 0.75 MCL1 (0.52) MCL1BRD4PRF1CHEK1WEE1
SCHEMBL16602005 0.75 MCL1 (0.43) MCL1WEE1
SCHEMBL16602011 0.73 MCL1 (0.57) MCL1
SCHEMBL16602018 0.73 ALDH1A1 (0.36) BRD4
SCHEMBL16602048 0.72 MCL1 (0.53) MCL1

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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