SCHEMBL8381179

SCHEMBL8381179

O=[N+]([O-])c1ccc(Br)cc1SSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.43
▸ PDE7B Q9NP56 3/20 0.43
▸ DTYMK P23919 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ S100A4 P26447 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL8734150 0.80 PDE7A (0.51) PDE7APDE7BDTYMKHSP90AA1MEN1
SCHEMBL2968440 0.76 PDE7A (0.68) PDE7APDE7BMEN1KMT2APOLB
SCHEMBL16225668 0.76 GSTP1 (0.54) PDE7APDE7BMEN1KMT2APOLB
SCHEMBL27271638 0.75 HSD17B10 (0.55) PDE7APDE7BDTYMKHSP90AA1MEN1
SCHEMBL5111726 0.75 PDE7A (0.74) PDE7APDE7BMEN1KMT2APOLB
SCHEMBL5423544 0.75 PDE7A (0.42) PDE7APDE7BMEN1KMT2APOLB
SCHEMBL7510847 0.74 PDE7A (0.39) PDE7APDE7BHSP90AA1MEN1KMT2A
SCHEMBL17985425 0.73 PDE7A (0.55) PDE7APDE7BMEN1KMT2APOLB
SCHEMBL8989706 0.72 PDE7A (0.51) PDE7APDE7BHSP90AA1MEN1KMT2A
SCHEMBL7643345 0.71 GPR35 (0.47) PDE7APDE7BHSP90AA1MEN1KMT2A

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
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 — — US disclosed
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