SCHEMBL9503661

SCHEMBL9503661

CNC(=S)C(C(=O)OCCC1CCCCC1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
BMP1 P13497 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
Hydrochloric Acid SCHEMBL9504492 0.99 MEN1 (0.41) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9507122 0.94 MEN1 (0.40) MEN1KMT2AHPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9503357 0.93 MEN1 (0.40) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9503282 0.93 NAAA (0.40) MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9503406 0.92 NAAA (0.40) MEN1KMT2AHPGD
SCHEMBL9505291 0.89 HPGD (0.40) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9504390 0.89 HPGD (0.40) MEN1KMT2AHPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9503391 0.88 CNR2 (0.39) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9503493 0.88 CNR2 (0.39) MEN1KMT2AHPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10521207 0.85 SMN1; SMN2 (0.45) MEN1KMT2AHPGDSMN1; SMN2NPC1

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