SCHEMBL9703901

SCHEMBL9703901

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP8 P22894 1/20 0.43
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 4/20 0.40
NOS2 P35228 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 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
SCHEMBL9703145 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MEN1GAAKMT2AMMP8
SCHEMBL9702660 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2AMMP8
SCHEMBL9702863 0.86 CASP1 (0.43) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL9702851 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2AMMP8
SCHEMBL1162993 0.85 SMN1; SMN2 (0.66) SMN1; SMN2MEN1GAAKMT2AMMP8
Hydrochloric Acid SCHEMBL10519969 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MEN1GAAKMT2ANPC1
SCHEMBL9703922 0.84 MEN1 (0.49) SMN1; SMN2MEN1GAAKMT2AMMP8
SCHEMBL9703979 0.84 MEN1 (0.38) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL10337894 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MEN1GAAKMT2AALDH1A1
SCHEMBL9702695 0.84 ALDH1A1 (0.49) SMN1; SMN2MEN1GAAKMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US claimed
JP-62108863-A None JP disclosed
EP-0223512-B1 2-PYRIDYLACETIC ACID DERIVATIVE, PREPARATION PROCESS THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUNTORY LIMITED (JP) 1992-07-08 EP disclosed
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US disclosed
JP-S62108863-A 2-PYRIDYLACETIC DERIVATIVE, ITS PREPARATION AND MEDICINE CONTAINING THE SAME SUNTORY LTD 1987-05-20 JP disclosed