SCHEMBL9825939

SCHEMBL9825939

COc1ccc(Sc2ccsc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HAO1 Q9UJM8 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
FBP1 P09467 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
IDO1 P14902 1/20 0.39
ACHE P22303 1/20 0.38
HTR2C P28335 1/20 0.38
DHFR P00374 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL482369 0.82 CA1 (0.65) PTGIRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL11848856 0.80 CA1 (0.61) PTGIRCA12CA1CA2CA7
SCHEMBL7643228 0.77 ICAM1 (0.42) PTGIRHAO1MEN1KMT2AFBP1
SCHEMBL2272158 0.74 CA4 (0.59) PTGIRCA12CA1CA2CA7
SCHEMBL3484650 0.74 ACHE (0.71) PTGIRCA12CA1CA2CA7
SCHEMBL4743804 0.72 HPGD (0.53) PTGIRCA12CA1CA2CA7
SCHEMBL20751758 0.72 PTGIR (0.53) PTGIRCA12CA1CA2CA7
SCHEMBL21763722 0.72 APP (0.61) PTGIRCA12CA1CA2CA7
SCHEMBL7929122 0.72 NFE2L2 (0.57) PTGIRCA12CA1CA2CA7
SCHEMBL30548759 0.72 MEN1 (0.62) PTGIRCA12CA1CA2CA7

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