SCHEMBL23257559

SCHEMBL23257559

C=CC(=O)Nc1cc(C(=O)NCCc2ccc(C=C)c(C=C)c2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.43
PTPN1 P18031 1/20 0.41
RHOC P08134 4/20 0.41
RHOA P61586 4/20 0.41
MCHR1 Q99705 1/20 0.40
EGFR P00533 1/20 0.39
NAMPT P43490 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
P2RX1 P51575 1/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL23256741 0.83 MEN1 (0.57) TGM2MEN1KMT2A
SCHEMBL23256737 0.83 FAAH (0.52) TGM2NAMPTKMT2A
SCHEMBL23256738 0.81 CA1 (0.52) EGFRMEN1KMT2A
SCHEMBL22446313 0.78 RHOC (0.47) TGM2RHOCRHOAEGFRBCHE
SCHEMBL23257556 0.77 TGM2 (0.50) TGM2RHOCRHOABCHEP2RX1
SCHEMBL22446314 0.75 RHOC (0.45) TGM2RHOCRHOAEGFRBCHE
SCHEMBL18763027 0.74 RHOC (0.44) TGM2RHOCRHOANAMPTBCHE
SCHEMBL23256742 0.73 RHOC (0.47) TGM2RHOCRHOAEGFRBCHE
SCHEMBL23257562 0.73 TRPV1 (0.61)
SCHEMBL23257554 0.72 TGM2 (0.45) TGM2RHOCRHOAEGFRBCHE

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-2021076755-A1 AN ACTIVITY-GUIDE MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-22 WO disclosed