SCHEMBL29201530

SCHEMBL29201530

O=c1cnc2ccccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 5/20 0.56
NOD2 Q9HC29 2/20 0.56
NOD1 Q9Y239 2/20 0.56
HPGD P15428 1/20 0.56
TNF P01375 1/20 0.56
CXCL8 P10145 1/20 0.56
SOS1 Q07889 1/20 0.56
GALR3 O60755 1/20 0.56
NR2F2 P24468 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL16210700 0.89 MEN1 (0.72) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29414257 0.89 MEN1 (0.72) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29201531 0.88 MEN1 (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL30050434 0.87 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28595389 0.87 MEN1 (0.73) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29201529 0.87 MEN1 (0.69) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29201528 0.87 MEN1 (0.69) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7225918 0.84 MEN1 (0.70) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL30934954 0.84 MEN1 (0.70) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29489044 0.83 MEN1 (0.64) KMT2AMEN1ALDH1A1KDM4EHPGD

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
CN-117924194-A 7-Thiocyanoquinoxalinone compound and synthesis method thereof 延安大学 2024-04-26 CN disclosed