SCHEMBL4358448

SCHEMBL4358448

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TGM2 P21980 4/20 0.37

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
SCHEMBL4350023 0.89 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4533901 0.89 SMN1; SMN2 (0.39) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4526460 0.88 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4354140 0.85 SMN1; SMN2 (0.36) NPC1RAB9AMMP1MMP2MMP3
SCHEMBL4355151 0.84 TGM2 (0.36) NPC1RAB9AHTTMAPTMMP1
SCHEMBL4347881 0.84 GPR119 (0.42) NPC1RAB9ASMN1; SMN2TGM2F13A1
SCHEMBL4359263 0.83 TGM2 (0.35) NPC1RAB9AMMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL4531900 0.82 GPR119 (0.35) NPC1RAB9AHTTMMP1MMP2
SCHEMBL4355670 0.82 TRPV4 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4351624 0.81 ENPP2 (0.44) NPC1RAB9AMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed