SCHEMBL20171604

SCHEMBL20171604

C=C(NC(CCC)c1ccc(OCCCN(C)C)cc1)/C(C#N)=C/c1cccc(F)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 10/20 0.47
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
USP24 Q9UPU5 1/20 0.40
FAAH O00519 3/20 0.33
GPR88 Q9GZN0 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.32
EGFR P00533 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
SCHEMBL882295 0.90 USP9X (0.56) USP9XUCHL1USP5USP24FAAH
SCHEMBL20171652 0.88 USP9X (0.45) USP9XUCHL1USP5USP24
SCHEMBL20171649 0.87 USP9X (0.49) USP9XUCHL1USP5USP24FAAH
SCHEMBL20171606 0.86 USP9X (0.46) USP9XUCHL1USP5USP24FAAH
SCHEMBL882205 0.86 USP9X (0.57) USP9XUCHL1USP5USP24FAAH
SCHEMBL882305 0.83 USP9X (0.54) USP9XUCHL1USP5USP24FAAH
SCHEMBL20171559 0.83 USP9X (0.56) USP9XUCHL1USP5USP24
SCHEMBL10124917 0.83 USP9X (0.61) USP9XUCHL1USP5USP24FAAH
SCHEMBL20171615 0.83 USP9X (0.42) USP9XUCHL1USP5USP24
SCHEMBL10124903 0.81 USP9X (0.61) USP9XUCHL1USP5USP24FAAH

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
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed