SCHEMBL9503668

SCHEMBL9503668

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
NAAA Q02083 1/20 0.38
BMP1 P13497 2/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.36

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 SCHEMBL9505461 0.99 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507162 0.97 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9504452 0.96 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL10521207 0.92 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9505434 0.86 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507117 0.86 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507122 0.86 MEN1 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9503357 0.85 MEN1 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9504445 0.85 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL9505502 0.85 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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