SCHEMBL8914692

SCHEMBL8914692

NCC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
HTT P42858 1/20 0.61
HIF1A Q16665 3/20 0.59
EPAS1 Q99814 3/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CASR P41180 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MITF O75030 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL5145754 0.87 KMT2A (0.62) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL3646401 0.86 MEN1 (0.73) HIF1AEPAS1CA1CA2MEN1
SCHEMBL2562988 0.85 SMN1; SMN2 (0.59) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL9912441 0.84 NPC1 (0.58) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL28172169 0.84 NPC1 (0.58) SMN1; SMN2HTTHIF1AEPAS1NPC1
Hydrochloric Acid SCHEMBL19747848 0.83 CA1 (0.67) CA1CA2RAB9AMEN1KMT2A
SCHEMBL6692876 0.83 NPC1 (0.57) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL11508333 0.83 SMN1; SMN2 (0.57) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL5197892 0.83 NPC1 (0.57) SMN1; SMN2HTTHIF1AEPAS1NPC1
SCHEMBL5199108 0.83 HIF1A (0.59) SMN1; SMN2HTTHIF1AEPAS1NPC1

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
US-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed
CN-1131169-A Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL CO (JP) 1996-09-18 CN disclosed
EP-0719840-A1 Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-03 EP disclosed