SCHEMBL7971367

SCHEMBL7971367

CC1=CC(=C(C#N)C#N)C(C)=C(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL7961027 0.67 EGFR (0.33) ALDH1A1KDM4E
SCHEMBL22805 0.63 MAPT (0.46) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL19488236 0.60 EGFR (0.35) KDM4E
SCHEMBL1131347 0.60 IDO1 (0.36) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL14300897 0.60 DUSP3 (0.39) ALDH1A1KDM4E
SCHEMBL9875880 0.59 STAT3 (0.37) ALDH1A1MEN1POLBKMT2AKDM4E
Duroquinone SCHEMBL11408085 0.58 DDAH1 (0.36) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL755506 0.58 ALDH1A1 (0.48) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL14559324 0.57 ALDH1A1 (0.41) ALDH1A1POLBKMT2AKDM4E
SCHEMBL9963863 0.57 EGFR (0.33) ALDH1A1MEN1POLBKMT2A

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-6280893-B1 CONDUCTIVE SUBSTRATE WITH PHOTOSENSITIVE LAYER, TRANSPORT LAYER AND DICYANOVINYLALKYL SUBSTITUTED CYCLOHEXANONE SHINDENGEN ELECTRIC MANUFACTURING CO., LTD. (JP) 2001-08-28 — — US disclosed
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