SCHEMBL9825949

SCHEMBL9825949

O=C(Nc1nnn[nH]1)c1sc(-c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
PTPRA P18433 1/20 0.43
SGMS2 Q8NHU3 3/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LRRK2 Q5S007 3/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
IKBKB O14920 1/20 0.37
PPIA P62937 2/20 0.37
STK17B O94768 1/20 0.37
PTGER1 P34995 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9826395 0.89 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9826042 0.87 LRRK2 (0.40) SGMS2MEN1KMT2ALRRK2CSNK2A2
SCHEMBL9825641 0.85 HPGD (0.44) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9827854 0.82 L3MBTL1 (0.40) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11560468 0.77 MET (0.52) SGMS2LRRK2NOX1
SCHEMBL11563381 0.76 LRRK2 (0.55) SGMS2KDM4EALDH1A1MAPTLRRK2
SCHEMBL11555954 0.76 LRRK2 (0.54) SGMS2LRRK2NOX1
SCHEMBL9377138 0.76 SENP5 (0.47) KDM4EALDH1A1NOX1
SCHEMBL11561500 0.75 LRRK2 (0.63) SGMS2KMT2ALRRK2PTGER1
SCHEMBL11563128 0.75 LRRK2 (0.63) SGMS2MEN1KMT2ALRRK2

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 3 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 claimed
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 claimed
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 claimed