SCHEMBL9702863

SCHEMBL9702863

CNC(=S)C(C(=O)OCc1ccccc1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 2/20 0.40
S1PR1 P21453 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL10337894 0.88 SMN1; SMN2 (0.39) ALDH1A1RAB9AMEN1GAAKMT2A
SCHEMBL9703901 0.86 SMN1; SMN2 (0.54) CASP1ALDH1A1PKMTSHRRAB9A
SCHEMBL8128764 0.83 CASP1 (0.48) CASP1ATMALDH1A1L3MBTL1PKM
Hydrochloric Acid SCHEMBL10519969 0.81 SMN1; SMN2 (0.39) ALDH1A1TSHRRAB9AMEN1GAA
SCHEMBL9703979 0.81 MEN1 (0.38) ALDH1A1TSHRRAB9AMEN1GAA
Hydrochloric Acid SCHEMBL10518465 0.81 NPSR1 (0.40) ALDH1A1TSHRMAPTMEN1GAA
Hydrochloric Acid SCHEMBL9503392 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1PKMTSHRRAB9A
SCHEMBL9702139 0.80 LMNA (0.41) ALDH1A1TSHRPOLBMAPTMEN1
SCHEMBL10717053 0.79 SLC6A2 (0.41) ALDH1A1TSHRPOLBCYP1A2
SCHEMBL9503493 0.79 CNR2 (0.39) MEN1GAAKMT2ASMN1; SMN2HPGD

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 4 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
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
EP-0223512-A2 2-Pyridylacetic acid derivative, preparation process thereof and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1987-05-27 EP disclosed