SCHEMBL31637037

SCHEMBL31637037

COC(=O)c1ncc2c(-c3ccccc3)ccnc2c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2A P11388 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL31636841 0.90 LMNA (0.45) LMNAHPGDMAPTL3MBTL1CNR1
SCHEMBL31636915 0.85 LMNA (0.46) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31636596 0.82 TOP2A (0.50) HPGDALDH1A1HSD17B10TOP2AMAPT
SCHEMBL31636308 0.81 HPGD (0.46) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31636503 0.80 HPGD (0.46) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31636590 0.80 HPGD (0.46) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL1657008 0.74 LMNA (0.49) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31636486 0.74 ALDH1A1 (0.51) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31637026 0.74 KCNA3 (0.48) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL31636369 0.74 KCNA3 (0.48) LMNAHPGDALDH1A1USP2TSHR

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