SCHEMBL6212971

SCHEMBL6212971

CCOC(=O)Cc1cccc(C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.48
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
TBXAS1 P24557 1/20 0.40

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
SCHEMBL2420372 0.87 PKM (0.47) NLRP3PKMMAPTGAATSHR
SCHEMBL20045091 0.85 KDM4E (0.43) NLRP3TSHRCYP4F2CYP4A11GABRA1
SCHEMBL27508381 0.84 PKM (0.44) NLRP3PKMMAPTGAATSHR
SCHEMBL17670986 0.84 PKM (0.48) NLRP3PKMMAPTGAATSHR
SCHEMBL3678822 0.83 NLRP3 (0.51) NLRP3PKMMAPTGAACYP4F2
SCHEMBL852520 0.83 PKM (0.53) NLRP3PKMTSHRCYP4F2CYP4A11
SCHEMBL29511550 0.83 PKM (0.53) NLRP3PKMTSHRCYP4F2CYP4A11
SCHEMBL1107140 0.82 PKM (0.55) NLRP3PKMGAATSHRCYP4F2
SCHEMBL30249949 0.82 PKM (0.55) NLRP3PKMGAATSHRCYP4F2
SCHEMBL11659499 0.81 CYP4F2 (0.57) NLRP3MAPTGAATSHRCYP4F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-6313137-B1 FOR THERAPY AND PROPHYLAXIS OF GASTROINTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2001-11-06 US disclosed
EP-1073657-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION AstraZeneca AB (SE) 2001-02-07 EP disclosed
WO-1999055706-A9 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRA AB (SE) 2000-03-16 WO disclosed
WO-1999055706-A1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 1999-11-04 WO disclosed