SCHEMBL18320548

SCHEMBL18320548

NC(=O)c1c(C(=O)O)c2c([nH]c1=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
PARP1 P09874 1/20 0.40
XBP1 P17861 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL26088674 0.81 USP2 (0.65) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL8123253 0.79 USP2 (0.67) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL26104648 0.71 PDE9A (0.47) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL8689140 0.71 LMNA (0.46) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL31297127 0.70 MAPT (0.40) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL3408224 0.66 MAPT (0.50) USP2SMN1; SMN2ALOX15LMNAKDM4E
SCHEMBL8124714 0.65 USP2 (1.00) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL1258695 0.64 PTPN1 (0.42) USP2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8113838 0.64 USP2 (0.97) USP2SMN1; SMN2ALOX15LMNAPKM
SCHEMBL3527851 0.62 GABRA1 (0.60) SMN1; SMN2ALOX15LMNAKDM4EALDH1A1

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
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed