SCHEMBL25846457

SCHEMBL25846457

O=C(Nc1ccc(N[SH](=O)=O)cc1)c1cccc(C#Cc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.53
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
PDGFRB P09619 2/20 0.45
KDR P35968 2/20 0.45
KIT P10721 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
LCK P06239 1/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL25233673 0.86 GRM5 (0.56) GRM5TACR2TACR1PDGFRBKDR
SCHEMBL25286068 0.86 MEN1 (0.57) GRM5TACR2TACR1PDGFRBKDR
SCHEMBL994977 0.86 GRM5 (0.59) GRM5TACR2TACR1KDR
SCHEMBL25232354 0.85 GRM5 (0.54) GRM5TACR2TACR1PDGFRBKDR
SCHEMBL25846553 0.84 RXFP1 (0.51) GRM5
SCHEMBL25274902 0.83 TRPV1 (0.58) GRM5TACR2TACR1KCNK9
SCHEMBL30563504 0.83 NPC1 (0.54) GRM5TACR2TACR1
SCHEMBL25246000 0.83 NPC1 (0.54) GRM5TACR2TACR1
SCHEMBL25233978 0.81 GRM5 (0.55) GRM5TACR2TACR1PDGFRBKDR
SCHEMBL25237004 0.81 NPC1 (0.57) GRM5TACR2TACR1PDGFRBKDR

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-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed