SCHEMBL9777973

SCHEMBL9777973

COC(CNS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.58
TBXAS1 P24557 1/20 0.58
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9777956 0.90 MEN1 (0.46) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9777943 0.88 TBXA2R (0.56) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9778008 0.88 TBXA2R (0.56) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9512068 0.85 TBXA2R (0.63) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9778021 0.84 TBXA2R (0.62) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9777999 0.83 EGFR (0.47) TBXA2RTBXAS1ALDH1A1TP53MAPT
SCHEMBL9777966 0.81 ALDH1A1 (0.62) TBXA2RTBXAS1ALDH1A1MAPTPOLB
SCHEMBL9777974 0.79 TBXA2R (0.45) TBXA2RTBXAS1HSP90AA1HSP90AB1PDK1
SCHEMBL9777972 0.78 ALDH1A1 (0.47) TBXA2RTBXAS1ALDH1A1TSHRCYP2C9
SCHEMBL9472791 0.78 ALDH1A1 (0.63) TBXA2RTBXAS1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 EP claimed
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed