SCHEMBL7546978

SCHEMBL7546978

CS(=O)(=O)c1nnnn1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.62
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
S1PR4 O95977 1/20 0.54
HPGD P15428 1/20 0.54
S1PR1 P21453 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTGS1 P23219 2/20 0.48

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
SCHEMBL12443641 0.82 MAPT (0.69) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL8352712 0.81 LMNA (0.71) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL19857277 0.79 MAPT (0.56) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL15790775 0.74 LMNA (0.54) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL17708398 0.72 MAPT (1.00) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL8048128 0.71 ALDH1A1 (0.49) PTGS2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8351721 0.71 ALDH1A1 (0.57) PTGS2MAPTLMNATP53ALDH1A1
SCHEMBL7396129 0.70 ALDH1A1 (0.57) PTGS2MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL30580665 0.70 OXTR (0.47) PTGS2LMNAALDH1A1RAB9APTGS1
SCHEMBL21467805 0.70 ALDH1A1 (1.00) PTGS2MAPTLMNATP53ALDH1A1

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-1150972-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2001-11-07 EP disclosed
WO-2000046220-A1 TRIAZOLE AND TETRAZOLE DERIVATIVES, AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-08-10 WO disclosed