SCHEMBL13349344

SCHEMBL13349344

Bc1cccc(/C=C(\C#N)C(=O)N[C@@H](CCC)c2ccccc2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 11/20 0.78
UCHL1 P09936 1/20 0.78
USP5 P45974 1/20 0.78
STAT3 P40763 1/20 0.55
USP24 Q9UPU5 1/20 0.41
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
RGS12 O14924 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8289031 0.92 USP9X (0.66) USP9XUCHL1USP5STAT3ALDH1A1
SCHEMBL864117 0.88 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL864169 0.88 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL882501 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317671 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317674 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL1317669 0.88 USP9X (1.00) USP9XUCHL1USP5STAT3USP24
SCHEMBL864170 0.88 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL864115 0.88 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL864116 0.88 USP9X (0.78) USP9XUCHL1USP5STAT3USP24

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745468-B2 tyrphostin-like compounds that display a significant potency as kinase inhibitors, cause the downregulation of c-myc proto-oncogene and inhibit the growth and survival of cancerous cell lines; antiproliferative agents Board of Regents, University of Texas Systems The (US) 2010-06-29 US disclosed
WO-2008005954-A2 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed