SCHEMBL9826280

SCHEMBL9826280

Cc1sc(C(=O)O)c(S)c1Br

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.52
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
DAO P14920 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2727696 0.78 GPR35 (0.66) GPR35PTPN1ALDH1A1TSHRHPGD
SCHEMBL1760864 0.78 GPR35 (0.55) GPR35PTPN1ALDH1A1TSHRHPGD
SCHEMBL7233575 0.75 GPR35 (0.52) GPR35PTPN1ALDH1A1TSHRHPGD
SCHEMBL1760858 0.72 GPR35 (0.49) GPR35PTPN1ALDH1A1HPGD
SCHEMBL319190 0.70 GPR35 (0.57) GPR35PTPN1ALDH1A1TSHRHPGD
SCHEMBL4753776 0.70 GPR35 (0.68) GPR35PTPN1ALDH1A1TSHRHPGD
SCHEMBL9825815 0.68 GPR35 (0.45) GPR35ALDH1A1KMT2A
SCHEMBL24264546 0.67 GPR35 (0.47) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL476351 0.67 GPR35 (0.67) GPR35PTPN1TSHRDAO
SCHEMBL11804199 0.66 GPR35 (0.48) GPR35PTPN1ALDH1A1TSHRHPGD

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