SCHEMBL9826124

SCHEMBL9826124

COC(=O)c1sc(-c2ccccc2)c(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.55
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM6 O15303 1/20 0.50
GRM5 P41594 1/20 0.50
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GAA P10253 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9827009 0.86 TRPM8 (0.51) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9031450 0.79 ALDH1A1 (0.56) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11101577 0.77 TSHR (0.53) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2060498 0.76 GRM6 (0.65) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27592419 0.76 ALDH1A1 (0.54) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6872798 0.76 TRPM8 (0.51) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1086028 0.75 KMT2A (0.56) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL68469 0.75 PLA2G1B (0.60) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2063549 0.75 ALDH1A1 (0.52) TRPM8ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10431407 0.74 TRPM8 (0.52) TRPM8ALDH1A1HPGDKDM4ESMN1; SMN2

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
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed