SCHEMBL6987058

SCHEMBL6987058

O=S(=O)(NCc1cnc[nH]1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
TAAR1 Q96RJ0 1/20 0.55
KEAP1 Q14145 1/20 0.53
ADRA1A P35348 1/20 0.52

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
SCHEMBL6986513 0.76 ADRA1A (0.51) SMN1; SMN2TAAR1ADRA1A
SCHEMBL27982921 0.76 KEAP1 (0.58) SMN1; SMN2LMNAKEAP1
SCHEMBL4662893 0.73 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKEAP1
SCHEMBL25223925 0.72 KEAP1 (0.68) SMN1; SMN2LMNAKEAP1
SCHEMBL4901454 0.71 TAAR1 (1.00) TAAR1ADRA1A
SCHEMBL15621204 0.71 KEAP1 (0.61) SMN1; SMN2LMNAKEAP1
SCHEMBL11618400 0.71 KMT2A (0.60)
SCHEMBL15621510 0.70 KEAP1 (0.59) SMN1; SMN2LMNAKEAP1
SCHEMBL24732099 0.70 HRH4 (0.73) SMN1; SMN2TAAR1
SCHEMBL29540801 0.70 KEAP1 (0.70) SMN1; SMN2LMNAKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed