SCHEMBL11400978

SCHEMBL11400978

NNS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
ALDH1A1 P00352 5/20 0.53
HSP90AA1 P07900 1/20 0.53
THRB P10828 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL24254327 0.83 HPGD (0.58) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL1163831 0.79 THRB (0.56) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL5517767 0.79 HPGD (0.54) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL15881314 0.79 HPGD (0.54) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL10072697 0.77 ALDH1A1 (0.36) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL23613828 0.76 HPGD (0.51) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL1164483 0.76 SMN1; SMN2 (0.61) HPGDALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL625352 0.76 TSHR (0.48) HPGDALDH1A1HSP90AA1THRBSMN1; SMN2
SCHEMBL4207122 0.75 KMT2A (0.53) HPGDALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5509693 0.75 THRB (0.51) HPGDALDH1A1HSP90AA1THRBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4264774-A MICROBIOCIDES THE DOW CHEMICAL COMPANY (US) 1981-04-28 US disclosed