SCHEMBL9503389

SCHEMBL9503389

CNC(=S)C(C(=O)O)(c1ccccn1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
NPY2R P49146 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
SCHEMBL9505474 0.84 KEAP1 (0.39) MAPTGAACYP1A2KEAP1NFE2L2
SCHEMBL9504394 0.78 HPGD (0.41) MAPTGAACYP1A2ALDH1A1HPGD
SCHEMBL9505297 0.78 HPGD (0.41) MAPTGAACYP1A2ALDH1A1HPGD
SCHEMBL9503666 0.77 HPGD (0.43) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9503500 0.76 HPGD (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9507128 0.76 MEN1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9503283 0.75 HPGD (0.42) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL10697581 0.75 KEAP1 (0.43) GAACYP1A2KEAP1NFE2L2HPGD
SCHEMBL10696448 0.73 KEAP1 (0.44) GAACYP1A2KEAP1NFE2L2MEN1
SCHEMBL6589388 0.72 KEAP1 (0.61) KEAP1NFE2L2ALDH1A1MEN1KMT2A

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