SCHEMBL9825879

SCHEMBL9825879

COc1ccc(Sc2ccsc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.52
▸ KDR P35968 1/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP9 P14780 3/20 0.47
▸ MMP12 P39900 3/20 0.47
▸ SLC6A9 P48067 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ICAM1 P05362 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ PTPRG P23470 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ PTGIR P43119 1/20 0.41

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
SCHEMBL9825602 0.86 ICAM1 (0.49) KDRMMP2MMP9MMP12SLC6A9
SCHEMBL11397194 0.77 NPC1 (0.46) KMT2AKDRMMP2MMP9MMP12
SCHEMBL7813349 0.77 PTPRC (0.49) KMT2APTPRCPTPRG
SCHEMBL26193556 0.75 KDR (0.42) KMT2AKDRMMP2MMP9MMP12
SCHEMBL11480785 0.75 L3MBTL1 (0.51) KMT2AALDH1A1SMN1; SMN2
SCHEMBL315581 0.73 NPC1 (0.59) KMT2AMMP2MMP9MMP12SLC6A9
SCHEMBL9826553 0.73 KDR (0.46) KMT2AKDRALDH1A1SMN1; SMN2FBP1
SCHEMBL6932815 0.73 CA1 (0.77) CA1CA2ALDH1A1SMN1; SMN2PTGIR
SCHEMBL982263 0.72 SMN1; SMN2 (0.54) KMT2ACA1CA2ALDH1A1SMN1; SMN2
SCHEMBL9381291 0.72 HPGD (0.49) KMT2APTPRCALDH1A1

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
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