SCHEMBL7502013

SCHEMBL7502013

Cn1ccc(C(=O)CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.48
PTPN1 P18031 6/20 0.47
GNG2 P59768 1/20 0.34
GNB1 P62873 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL12094828 0.82 MAPT (0.42) SLC18A3
SCHEMBL4502421 0.80 ALDH1A1 (0.47) GSK3BSLC18A3
SCHEMBL4342076 0.78 KMT2A (0.39) PTPN1SLC18A3
SCHEMBL11726606 0.76 AKR1B1 (0.42) SLC18A3
SCHEMBL7325386 0.76 KMT2A (0.43)
SCHEMBL29941295 0.74 L3MBTL1 (0.50)
SCHEMBL334557 0.74
SCHEMBL24702053 0.73 GSK3B (0.50) GSK3BPTPN1
SCHEMBL5269154 0.73 ALDH1A1 (0.37) PTPN1SLC18A3
Hydrochloric Acid SCHEMBL11715676 0.72 TSHR (0.42) SLC18A3

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-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed