SCHEMBL4600946

SCHEMBL4600946

O=C(O)N(Cc1ccccc1)S(=O)(=O)NCC1CCCO1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CXCR3 P49682 1/20 0.53
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL964699 0.80 GBA1 (0.50) ALDH1A1CXCR3SMN1; SMN2NPSR1MEN1
SCHEMBL966612 0.80 BCL2L1 (0.48) ALDH1A1CXCR3LMNASMN1; SMN2NPSR1
SCHEMBL963729 0.74 NPSR1 (0.54) ALDH1A1HPGDLMNASMN1; SMN2NPSR1
SCHEMBL4077665 0.73 ALDH1A1 (0.78) ALDH1A1HPGDPKMLMNASMN1; SMN2
SCHEMBL20388009 0.73 CXCR3 (0.73) ALDH1A1CXCR3HPGDLMNASMN1; SMN2
SCHEMBL963555 0.71 HSD11B1 (0.46) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL20393917 0.71 MAPT (0.66) ALDH1A1CXCR3HPGDLMNASMN1; SMN2
SCHEMBL1169642 0.70 CXCR3 (1.00) ALDH1A1CXCR3HPGDSMN1; SMN2MEN1
SCHEMBL1874466 0.70 LMNA (0.72) ALDH1A1HPGDPKMLMNASMN1; SMN2
SCHEMBL963548 0.69 CA12 (0.47) LMNAMEN1KMT2ARAB9A

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