SCHEMBL9507122

SCHEMBL9507122

CNC(=S)C(C(=O)OCCCC1CCCCC1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
BMP1 P13497 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
NAAA Q02083 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
ASAH1 Q13510 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 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
Hydrochloric Acid SCHEMBL9503357 0.99 MEN1 (0.40) MEN1KMT2AHPGDCHRM2CHRM4
SCHEMBL9503282 0.97 NAAA (0.40) MEN1KMT2AHPGDNAAAASAH1
Hydrochloric Acid SCHEMBL9503406 0.96 NAAA (0.40) MEN1KMT2AHPGDNAAAASAH1
SCHEMBL9503661 0.94 MEN1 (0.42) MEN1KMT2AHPGDCHRM2CHRM4
Hydrochloric Acid SCHEMBL9504492 0.93 MEN1 (0.41) MEN1KMT2AHPGDCHRM2CHRM4
SCHEMBL9505291 0.87 HPGD (0.40) MEN1KMT2AHPGDCHRM2CHRM4
SCHEMBL9504390 0.87 HPGD (0.40) MEN1KMT2AHPGDCHRM2CHRM4
Hydrochloric Acid SCHEMBL9503391 0.86 CNR2 (0.39) MEN1KMT2AHPGDCHRM2CHRM4
SCHEMBL9503668 0.86 SMN1; SMN2 (0.44) MEN1KMT2AHPGDCHRM2CHRM4
SCHEMBL9503493 0.86 CNR2 (0.39) MEN1KMT2AHPGDSMN1; SMN2KDM4E

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
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP claimed