SCHEMBL23257554

SCHEMBL23257554

C=C/C=C(\C=C)CNC(=O)c1cc(NC(=O)C=C)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.45
RHOC P08134 4/20 0.44
RHOA P61586 4/20 0.44
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX1 P51575 3/20 0.39
BCHE P06276 1/20 0.39
TACR1 P25103 1/20 0.37
NNMT P40261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR35 Q9HC97 1/20 0.35
LMNA P02545 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL23256742 0.87 RHOC (0.47) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL23257556 0.82 TGM2 (0.50) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL22446313 0.78 RHOC (0.47) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL22446314 0.76 RHOC (0.45) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL18763049 0.75 TGM2 (0.69) TGM2P2RX1TACR1GPR35LMNA
SCHEMBL20857042 0.75 P2RX1 (0.62) TGM2RHOCRHOAHTTP2RX1
SCHEMBL18763027 0.75 RHOC (0.44) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL23257559 0.72 TGM2 (0.43) TGM2RHOCRHOAP2RX1BCHE
SCHEMBL23256741 0.72 MEN1 (0.57) TGM2
SCHEMBL15541487 0.70 TGM2 (0.61) TGM2HTTP2RX1TACR1GPR35

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