SCHEMBL5734823

SCHEMBL5734823

O=C(c1ccc(-c2ccncc2)nc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
F10 P00742 12/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.51
F2 P00734 2/20 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
SCHEMBL6734223 0.89 ATM (0.64) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6194632 0.89 F10 (0.53) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL5735220 0.89 F10 (0.61) ATMF10SMN1; SMN2LMNAGAA
SCHEMBL5193868 0.88 ATM (0.71) ATMF10SMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6195419 0.87 ATM (0.69) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6389239 0.87 ATM (0.60) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6734831 0.87 LMNA (0.61) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6728600 0.84 F10 (0.57) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6737478 0.84 F10 (0.56) ATMF10SMN1; SMN2LMNAL3MBTL1
SCHEMBL6195355 0.84 ATM (0.61) ATMF10SMN1; SMN2LMNAL3MBTL1

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