SCHEMBL10463570

SCHEMBL10463570

O=S(=O)(NCCc1ccc(CCCO)cc1)c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.80
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 5/20 0.65
TP53 P04637 1/20 0.65
GAA P10253 1/20 0.65
PPARG P37231 3/20 0.61
PRMT1 Q99873 2/20 0.59
LSS P48449 1/20 0.57
AKR1C3 P42330 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
TBXAS1 P24557 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL10463885 0.94 TBXA2R (0.72) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL10460235 0.91 MEN1 (0.73) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9754552 0.89 MEN1 (0.84) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9331678 0.88 MEN1 (0.73) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL10462666 0.85 TBXA2R (0.60) TBXA2RMEN1KMT2AALDH1A1PPARG
SCHEMBL9129895 0.85 MEN1 (0.74) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL10462121 0.85 TBXA2R (0.60) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9127854 0.85 MEN1 (0.68) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9129125 0.84 MEN1 (0.72) TBXA2RMEN1KMT2AALDH1A1TP53
SCHEMBL9661163 0.83 TBXA2R (0.74) TBXA2RMEN1KMT2AALDH1A1TP53

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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed