SCHEMBL5734142

SCHEMBL5734142

CNCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.60
PKM P14618 8/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
F10 P00742 3/20 0.53

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
Hydrochloric Acid SCHEMBL5734225 0.99 ATM (0.66) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734975 0.86 ATM (0.71) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734553 0.85 ATM (0.67) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734586 0.85 ATM (0.61) ATMSMN1; SMN2PKMKMT2AMEN1
Hydrochloric Acid SCHEMBL5736359 0.84 ATM (0.66) ATMSMN1; SMN2PKMKMT2AMEN1
Hydrochloric Acid SCHEMBL5734180 0.84 ATM (0.60) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734767 0.83 ATM (0.65) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734403 0.83 ATM (0.65) ATMSMN1; SMN2PKMKMT2AMEN1
SCHEMBL5734594 0.83 ATM (0.65) ATMSMN1; SMN2PKMKMT2AMEN1
Hydrochloric Acid SCHEMBL5734184 0.82 ATM (0.64) ATMSMN1; SMN2PKMKMT2AMEN1

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