SCHEMBL5737352

SCHEMBL5737352

Cc1nc(-c2cccnc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F10 P00742 11/20 0.50
F2 P00734 3/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5735417 0.90 SMN1; SMN2 (0.54) SMN1; SMN2LMNAF10CYP1A2CYP3A4
SCHEMBL5734359 0.90 F10 (0.54) SMN1; SMN2LMNAF10F2ATM
SCHEMBL5734576 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1F10F2
SCHEMBL5735028 0.86 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1F10F2
SCHEMBL5734273 0.86 F10 (0.50) SMN1; SMN2LMNAF10F2ALDH1A1
SCHEMBL6729737 0.82 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1F10F2
SCHEMBL5734474 0.82 ATM (0.66) SMN1; SMN2LMNAL3MBTL1KMT2AMEN1
SCHEMBL5734070 0.81 SMN1; SMN2 (0.66) SMN1; SMN2LMNAL3MBTL1F10KMT2A
SCHEMBL6305998 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1F10F2
SCHEMBL5735531 0.81 MAPT (0.53) SMN1; SMN2LMNAL3MBTL1KMT2AMEN1

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-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed