SCHEMBL9503282

SCHEMBL9503282

CNC(=S)C(C(=O)OCCCCC1CCCCC1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.40
ASAH1 Q13510 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40

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 SCHEMBL9503406 0.99 NAAA (0.40) NAAAASAH1MEN1HPGDKMT2A
SCHEMBL9507122 0.97 MEN1 (0.40) NAAAASAH1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL9503357 0.96 MEN1 (0.40) NAAAASAH1MEN1HPGDKMT2A
SCHEMBL9503661 0.93 MEN1 (0.42) MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL9504492 0.92 MEN1 (0.41) MEN1HPGDKMT2A
SCHEMBL9507162 0.87 SMN1; SMN2 (0.43) NAAAASAH1MEN1HPGDKMT2A
SCHEMBL9505291 0.86 HPGD (0.40) MEN1HPGDKMT2A
SCHEMBL9504390 0.86 HPGD (0.40) MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL9504452 0.86 SMN1; SMN2 (0.43) NAAAASAH1MEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL9503391 0.85 CNR2 (0.39) MEN1HPGDKMT2A

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