SCHEMBL9871464

SCHEMBL9871464

O=C(O)CCCCCCCNS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TSHR P16473 2/20 0.68
MEN1 O00255 1/20 0.68
HTT P42858 1/20 0.68
MAPK1 P28482 1/20 0.63
ALDH1A1 P00352 3/20 0.59
TBXA2R P21731 1/20 0.57
FABP4 P15090 6/20 0.57
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL5626348 0.88 KMT2A (0.58) KMT2ASMN1; SMN2TSHRMEN1HTT
SCHEMBL6985860 0.84 KMT2A (0.74) KMT2ASMN1; SMN2TSHRMEN1HTT
SCHEMBL6988457 0.84 KMT2A (0.74) KMT2ASMN1; SMN2TSHRMEN1HTT
SCHEMBL9872404 0.78 FABP4 (0.60) ALDH1A1TBXA2RFABP4LMNATHRB
SCHEMBL1287269 0.76 KMT2A (0.62) KMT2ASMN1; SMN2TSHRMEN1HTT
SCHEMBL10690110 0.76 TSHR (0.89) SMN1; SMN2TSHRMAPK1ALDH1A1TBXA2R
SCHEMBL9871736 0.75 TBXA2R (0.75) ALDH1A1TBXA2RFABP4LMNA
SCHEMBL9869922 0.75 TBXA2R (0.75) ALDH1A1TBXA2RFABP4LMNA
SCHEMBL9870233 0.75 TBXA2R (0.75) ALDH1A1TBXA2RFABP4LMNA
SCHEMBL9872413 0.75 TBXA2R (0.75) ALDH1A1TBXA2RFABP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989001330-A2 W-ARYLSULPHONAMIDOALKANOIC ACIDS FOR TREATMENT OF THROMBOXANE MEDIATED DISEASES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-23 WO claimed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP claimed
US-4997847-A Thromboxane A2 antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (DE) 1991-03-05 US disclosed
EP-0304271-A2 Omega-arylsulphonamidoalkanoic acids for treatment of thromboxane medited diseases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-22 EP disclosed