SCHEMBL10324293

SCHEMBL10324293

CC(C)CC(N)c1ncc(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ PLAU P00749 1/20 0.38
▸ MET P08581 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SCN5A Q14524 2/20 0.31
▸ SCN10A Q9Y5Y9 2/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13119982 0.81 S1PR1 (0.47) S1PR1S1PR3PLAUMETTP53
Hydrochloric Acid SCHEMBL6031240 0.80 S1PR1 (0.46) S1PR1S1PR3PLAUMETTP53
SCHEMBL16139588 0.77 S1PR1 (0.42) S1PR1S1PR3PLAUMETTP53
SCHEMBL18335163 0.77 S1PR1 (0.41) S1PR1S1PR3PLAUMETKMT2A
SCHEMBL21598707 0.74 PLAU (0.43) S1PR1S1PR3PLAUMETTP53
SCHEMBL18335122 0.73 S1PR1 (0.41) S1PR1S1PR3PLAUMETKMT2A
SCHEMBL10325419 0.72 AAK1 (0.41) TP53
SCHEMBL3616161 0.72 AAK1 (0.39) ALDH1A1
SCHEMBL21598694 0.71 S1PR1 (0.39) S1PR1S1PR3PLAUMETKMT2A
SCHEMBL16654919 0.70 S1PR3 (0.38) S1PR1S1PR3PLAUMETALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012095781-A1 INDAZOLE DERIVATIVES AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-07-19 — — WO disclosed
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