SCHEMBL8577400

SCHEMBL8577400

CC(C#N)C(=O)NCc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
ITGB1 P05556 4/20 0.44
ITGA5 P08648 4/20 0.44
PPID Q08752 2/20 0.44
PPIB P23284 2/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MME P08473 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 2/20 0.41
TPSAB1 Q15661 2/20 0.41
PLG P00747 1/20 0.41

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
SCHEMBL22060071 0.82 ERCC1 (0.60) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL8578080 0.79 P2RY6 (0.42) ERCC1ERCC4KMT2ATPSAB1PRSS1
SCHEMBL22060066 0.75 LMNA (0.68) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL21781976 0.75 ITGB1 (0.51) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL19323067 0.75 MME (0.58) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL8573694 0.75 EPHX2 (0.47) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL8251354 0.74 SPHK1 (0.51) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL1919932 0.74 EPHX2 (0.53) EPHX2ITGB1ITGA5PPIDPPIB
SCHEMBL13690882 0.73 EPHX2 (0.54) EPHX2ITGB1ITGA5PPIDPPIB
Alanine SCHEMBL22445734 0.72 ITGB1 (0.51) EPHX2ITGB1ITGA5PPIDPPIB

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
WO-1998016826-A1 IMMUNOASSAY FOR THE DETECTION AND MEASUREMENT OF 2,2-DIBROMO-3-NITRILOPROPIONAMIDE THE DOW CHEMICAL COMPANY (US) 1998-04-23 WO disclosed