SCHEMBL16602004

SCHEMBL16602004

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.52
▸ KMO O15229 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ AKR1C3 P42330 4/20 0.37
▸ AKR1C2 P52895 4/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ DDT P30046 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ MAPKAPK3 Q16644 1/20 0.36
▸ MAPK6 Q16659 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL16601995 0.92 MCL1 (0.50) MCL1KMOFOLH1AKR1C3AKR1C2
SCHEMBL16602008 0.83 MCL1 (0.55) MCL1TDP2
SCHEMBL16602012 0.81 MCL1 (0.52) MCL1AKR1C3AKR1C2ACMSD
SCHEMBL16602011 0.78 MCL1 (0.57) MCL1
SCHEMBL16602007 0.77 MCL1 (0.56) MCL1RXRARXRB
SCHEMBL16601985 0.75 MCL1 (0.45) MCL1
SCHEMBL16602019 0.75 MCL1 (0.53) MCL1
SCHEMBL16601996 0.74 MCL1 (0.52) MCL1TDP2
SCHEMBL14922765 0.71 MCL1 (0.67) MCL1
SCHEMBL29186265 0.71 MEN1 (0.54) KMOFOLH1AKR1C3AKR1C2RXRA

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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