SCHEMBL31636734

SCHEMBL31636734

COC(=O)c1cnc(-c2ccccc2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.72
AXL P30530 1/20 0.49
GAA P10253 2/20 0.49
PLA2G2A P14555 2/20 0.48
PDE4B Q07343 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC2A1 P11166 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL29141529 0.88 LDHA (0.59) LDHAAXLGAAPLA2G2APDE4B
SCHEMBL31636902 0.85 LDHA (0.52) LDHAGABRA5ALDH1A1HPGDNPC1
SCHEMBL25148607 0.84 LDHA (0.54) LDHAAXLGAAPLA2G2APDE4B
SCHEMBL30364708 0.84 LDHA (0.54) LDHAAXLGAAPLA2G2APDE4B
SCHEMBL18924640 0.82 LDHA (0.63) LDHAGAAALDH1A1KDM4EHPGD
SCHEMBL31636729 0.80 LDHA (0.50) LDHAAXLGAAPLA2G2APDE4B
SCHEMBL30930671 0.79 AXL (0.53) LDHAAXLBAZ2BKDM4EMEN1
SCHEMBL2715851 0.76 LDHA (0.67) LDHABAZ2BGABRG2GABRB3GABRA5
SCHEMBL30930704 0.76 NPC1 (0.54) LDHAAXLPLA2G2AMAPTSLC2A1
SCHEMBL27285124 0.76 NPC1 (0.54) LDHAAXLPLA2G2AMAPTSLC2A1

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-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed