SCHEMBL9213166

SCHEMBL9213166

CNC(=S)[C@]1(c2cccnc2)CCCC[C@H]1CCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TBXAS1 P24557 11/20 0.41
ALDH1A1 P00352 3/20 0.39
TBXA2R P21731 2/20 0.38
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9220380 1.00 KDM4E (0.41) KDM4ETBXAS1ALDH1A1TBXA2RCNR1
SCHEMBL9212010 0.92 MAPK1 (0.42) TBXAS1ALDH1A1GAALMNATSHR
SCHEMBL9217641 0.92 MAPK1 (0.39) TBXAS1ALDH1A1CNR1GAALMNA
SCHEMBL9216178 0.92 MAPK1 (0.39) TBXAS1ALDH1A1CNR1GAALMNA
SCHEMBL9211118 0.92 TBXAS1 (0.40) TBXAS1ALDH1A1TBXA2RGAAL3MBTL1
SCHEMBL9211128 0.92 TBXAS1 (0.40) TBXAS1ALDH1A1TBXA2RGAAL3MBTL1
SCHEMBL9212029 0.90 ALDH1A1 (0.43) KDM4ETBXAS1ALDH1A1TBXA2RLMNA
SCHEMBL9216984 0.90 ALDH1A1 (0.43) KDM4ETBXAS1ALDH1A1TBXA2RLMNA
SCHEMBL9216640 0.89 LMNA (0.35) TBXAS1ALDH1A1CNR1GAALMNA
SCHEMBL9209319 0.89 LMNA (0.35) TBXAS1ALDH1A1CNR1GAALMNA

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
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP claimed
US-5364853-A Treatment of disorders associated with vascular, respiratory, gastrointestinal tract, urinary bladder or uterus smooth muscle contraction RHONE-POULENC RORER LIMITED (GB) 1994-11-15 US claimed
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP disclosed
US-5364853-A Treatment of disorders associated with vascular, respiratory, gastrointestinal tract, urinary bladder or uterus smooth muscle contraction RHONE-POULENC RORER LIMITED (GB) 1994-11-15 US disclosed