SCHEMBL16602005

SCHEMBL16602005

CSc1ccc(-c2ccc3c(=O)c(=C(C#N)C#N)c4ccc(C)c2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.43
▸ WEE1 P30291 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL16602014 0.81 MCL1 (0.43) MCL1
SCHEMBL12114036 0.80 MCL1 (0.58) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL16602049 0.76 MCL1 (0.50) MCL1
SCHEMBL16601994 0.75 MCL1 (0.49) MCL1WEE1
SCHEMBL16601985 0.73 MCL1 (0.45) MCL1
SCHEMBL14922765 0.71 MCL1 (0.67) MCL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16602011 0.68 MCL1 (0.57) MCL1
SCHEMBL16601996 0.67 MCL1 (0.52) MCL1WEE1MAPT
SCHEMBL16602007 0.67 MCL1 (0.56) MCL1
SCHEMBL15765900 0.66 MCL1 (0.58) 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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