SCHEMBL25846553

SCHEMBL25846553

COc1cc(C#Cc2ccccn2)cc(C(=O)Nc2ccc(N[SH](=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
GRM5 P41594 4/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
AURKB Q96GD4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 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
SCHEMBL25846457 0.84 GRM5 (0.53) GRM5
SCHEMBL25254448 0.79 GRM5 (0.56) GRM5RAB9AMAPTNPC1LMNA
SCHEMBL30563419 0.79 GRM5 (0.56) GRM5RAB9AMAPTNPC1LMNA
SCHEMBL25678186 0.79 TP53 (0.57) RXFP1MEN1KMT2ACASP3SENP8
SCHEMBL25276486 0.79 AURKB (0.47) RXFP1MEN1KMT2ACASP3SENP8
SCHEMBL25227508 0.79 F10 (0.56) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL25229616 0.79 TP53 (0.54) RXFP1KMT2AGRM5THRBRAB9A
SCHEMBL30563470 0.79 F10 (0.56) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL25239345 0.78 RAB9A (0.58) MEN1KMT2AGRM5RAB9AMAPT
SCHEMBL25676964 0.77 AURKB (0.46) RXFP1MEN1KMT2ACASP3SENP8

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