SCHEMBL16601998

SCHEMBL16601998

N#CC(C#N)=c1c(=O)c2cc(-c3ccc(CO)cc3)cc3cc(-c4ccc(CO)cc4)cc1c32

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.47
▸ ERN1 O75460 2/20 0.36
▸ IKBKB O14920 2/20 0.34
▸ CHUK O15111 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 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
SCHEMBL16601994 0.76 MCL1 (0.49) MCL1CHEK1
SCHEMBL16602007 0.73 MCL1 (0.56) MCL1RXRARXRB
SCHEMBL12113984 0.71 MCL1 (0.53) MCL1
SCHEMBL13694210 0.66 MCL1 (0.65) MCL1
SCHEMBL2367407 0.64 MCL1 (1.00) MCL1
SCHEMBL16602019 0.63 MCL1 (0.53) MCL1
SCHEMBL13302005 0.63 MCL1 (0.43) MCL1KIF11
SCHEMBL14922764 0.63 MCL1 (0.70) MCL1
SCHEMBL15765913 0.63 MAPT (0.38) ERN1CHEK1KIF11
SCHEMBL16601784 0.62 MAPT (0.44) ERN1CHEK1KIF11

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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