SCHEMBL877880

SCHEMBL877880

CCc1ccc(N(C(CCn2nnc3cc(C)ccc3c2=O)C(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 12/20 0.44
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL874812 0.90 GPR139 (0.46) GPR139KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL873568 0.88 GPR139 (0.44) GPR139
SCHEMBL877706 0.86 MMP2 (0.45) GPR139KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL874247 0.84 GPR139 (0.44) GPR139KMT2AALDH1A1HPGDNPSR1
SCHEMBL877229 0.83 GPR139 (0.51) GPR139SMN1; SMN2ALDH1A1NPSR1
SCHEMBL874810 0.82 GPR139 (0.52) GPR139KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL877441 0.81 GPR139 (0.44) GPR139KDM4EKMT2ANPSR1
SCHEMBL876956 0.81 GPR139 (0.43) GPR139SMN1; SMN2LMNA
SCHEMBL876636 0.80 KMT2A (0.52) GPR139KDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL874163 0.80 GPR139 (0.45) GPR139KDM4EKMT2ASMN1; SMN2ALDH1A1

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed