SCHEMBL4600923

SCHEMBL4600923

O=S(=O)(Cc1ccccc1)NCCc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.49
GLO1 Q04760 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4601440 0.79 CA1 (0.59) LMNAALDH1A1TAAR1CYP19A1KDM4E
SCHEMBL4616855 0.79 RAB9A (0.67) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL3196995 0.79 LMNA (0.59) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL4602434 0.76 LMNA (0.50) LMNATDP1HRH3ALOX15RAB9A
SCHEMBL3220191 0.76 LMNA (0.56) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL10967040 0.75 LMNA (0.55) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL2593202 0.75 SMN1; SMN2 (0.51) LMNATDP1ALDH1A1ALOX15CYP1A2
SCHEMBL5707323 0.75 CYP1A2 (0.60) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL603914 0.74 CA1 (0.62) ALDH1A1CYP19A1KDM4E
SCHEMBL14197641 0.74 ALDH1A1 (0.53) TDP1ALDH1A1CYP19A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed