SCHEMBL9464873

SCHEMBL9464873

CS(=O)(=O)N1CCc2cc(I)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.55
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PKM P14618 1/20 0.52
NPC1 O15118 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9464771 0.90 TP53 (0.49) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL9464177 0.84 CYP11B1 (0.55) POLBCYP11B1CYP11B2GAAHTR6
SCHEMBL5024162 0.81 POLB (0.58) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL288153 0.80 NPC1 (0.62) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL30264508 0.80 POLB (0.57) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL852214 0.80 POLB (0.57) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL4710261 0.78 POLB (0.66) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL5018919 0.78 SMN1; SMN2 (0.55) POLBGLAHPGDCYP11B1CYP11B2
SCHEMBL14057787 0.76 HPGD (0.69) POLBHPGDNPC1MEN1KMT2A
SCHEMBL12682923 0.76 HPGD (0.69) POLBHPGDNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed