SCHEMBL6587338

SCHEMBL6587338

Cc1cc(Br)ccc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ACHE P22303 1/20 0.41
PTPRC P08575 2/20 0.41
MBNL1 Q9NR56 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL12476663 0.84 PTPRC (0.47) ACHEPTPRCNPC1SMN1; SMN2PDK2
SCHEMBL11728016 0.84 PTPRC (0.47) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2945910 0.81 S100A4 (0.46) PTPRCALDH1A1MAPK1
SCHEMBL14850866 0.80 ELANE (0.45) ACHEPTPRCMBNL1NPC1HTT
SCHEMBL30949638 0.77 GPR35 (0.45) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19180559 0.77 PTPRC (0.46) PTPRCNPC1SMN1; SMN2PDK2ALDH1A1
SCHEMBL28833526 0.77 GPR35 (0.45) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL19723471 0.77 ALDH1A1 (0.50) PTPRCNPC1HTTSMN1; SMN2MEN1
SCHEMBL29290422 0.77 GABRA1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL1584518 0.77 ACHE (0.41) ACHEPTPRCMBNL1NPC1SMN1; SMN2

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-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
CN-1281433-A Hydroxamic acid derivatives as matrix metalloproteinase (MMP) inhibitors PFIZER LTD (US) 2001-01-24 CN disclosed