SCHEMBL16602012

SCHEMBL16602012

N#CC(C#N)=c1c(=O)c2ccc(-c3cccc(CO)c3)c3cccc1c32

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.52
▸ CHEK1 O14757 3/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ PRKCI P41743 1/20 0.34
▸ CALML3 P27482 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ HPGDS O60760 1/20 0.31

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 0.89 MCL1 (0.56) MCL1PRKDC
SCHEMBL16602008 0.83 MCL1 (0.55) MCL1CHEK1WEE1IKBKB
SCHEMBL16602019 0.82 MCL1 (0.53) MCL1
SCHEMBL16602004 0.81 MCL1 (0.52) MCL1ACMSDAKR1C3AKR1C2
SCHEMBL16602011 0.80 MCL1 (0.57) MCL1
SCHEMBL16601994 0.77 MCL1 (0.49) MCL1CHEK1WEE1
SCHEMBL16601996 0.74 MCL1 (0.52) MCL1CHEK1WEE1IKBKB
SCHEMBL16601995 0.72 MCL1 (0.50) MCL1AKR1C3AKR1C2
SCHEMBL14922765 0.71 MCL1 (0.67) MCL1
SCHEMBL2367407 0.70 MCL1 (1.00) 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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