SCHEMBL8701158

SCHEMBL8701158

COc1c(OS(=O)(=O)c2ccccc2Cl)ccc(Cc2ccccc2)c1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRB P23467 1/20 0.39
PTPN11 Q06124 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL8695519 0.81 STS (0.49) STSMAPTMEN1KMT2ATP53
SCHEMBL8695762 0.81 TP53 (0.44) STSMAPTSMN1; SMN2GAAMEN1
SCHEMBL8695530 0.79 F2 (0.46) STSMAPTSMN1; SMN2GAAMEN1
SCHEMBL8696210 0.77 STS (0.45) STSMAPTMEN1KMT2ATP53
SCHEMBL7445442 0.77 F2 (0.52) STSF2GPR119
SCHEMBL8698733 0.75 F2 (0.47) STSMAPTTHRBMEN1KMT2A
SCHEMBL8698765 0.75 HTR6 (0.46) STSMEN1KMT2AF2
SCHEMBL8698820 0.73 STS (0.46) STSMAPTMEN1KMT2AF2
SCHEMBL7602868 0.71 F2 (0.56) STSMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8695575 0.71 STS (0.46) STSMAPTMEN1KMT2ATP53

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-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed