SCHEMBL5145182

SCHEMBL5145182

O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.61
RAB9A P51151 11/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
PKM P14618 3/20 0.61
NFKB1 P19838 1/20 0.61
MAOB P27338 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
POLB P06746 2/20 0.59
ACLY P53396 1/20 0.59
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.58
PTGS2 P35354 1/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 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
SCHEMBL2273182 0.93 PTGS2 (0.66) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2271243 0.90 ADCY1 (0.61) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL1066393 0.87 HDAC1 (0.65) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2272541 0.86 PTGS2 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2277756 0.85 PTGS2 (0.57) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2276607 0.84 CASP3 (0.63) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL1317635 0.83 ACLY (0.53) NPC1SMN1; SMN2ACLYKMT2AMEN1
SCHEMBL2274216 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2270222 0.83 DHODH (0.77) NPC1RAB9APKMACLYKMT2A
SCHEMBL2274795 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 EP disclosed