SCHEMBL5734844

SCHEMBL5734844

CC(C)N(Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
PKM P14618 5/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 1/20 0.53
PLG P00747 1/20 0.53
HTT P42858 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
Hydrochloric Acid SCHEMBL5734439 0.99 ATM (0.59) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5734767 0.90 ATM (0.65) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5736113 0.85 ATM (0.65) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL8115537 0.83 ATM (0.63) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5733709 0.82 ATM (0.62) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5734594 0.82 ATM (0.65) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5736169 0.81 ATM (0.61) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5735347 0.81 F10 (0.53) ATMPKMGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5734184 0.81 ATM (0.64) ATMPKMGAAALDH1A1SMN1; SMN2
SCHEMBL5733992 0.80 F10 (0.68) ATMPKMGAAALDH1A1SMN1; SMN2

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