SCHEMBL31514101

SCHEMBL31514101

COCc1ccc(OC)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.39
NOTUM Q6P988 1/20 0.37
S1PR4 O95977 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 3/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LOX P28300 1/20 0.31

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
SCHEMBL4278707 0.88 NOTUM (0.38) NOTUMS1PR4KDM4EALDH1A1MEN1
SCHEMBL12141758 0.79 NNMT (0.41) NNMTKDM4EALDH1A1HTTMEN1
SCHEMBL23530067 0.77 CCR1 (0.38) NOTUMS1PR4POLB
SCHEMBL26454396 0.77 GABRA1 (0.37) NOTUMS1PR4KDM4EALDH1A1POLB
SCHEMBL3113246 0.77 NNMT (0.44) NNMTKDM4EALDH1A1HTTMEN1
SCHEMBL29631035 0.77 NNMT (0.39) NNMTKDM4EALDH1A1HTTMEN1
SCHEMBL20894523 0.77 NNMT (0.39) NNMTKDM4EALDH1A1HTTMEN1
SCHEMBL15633541 0.77 NNMT (0.44) NNMTNOTUMS1PR4KDM4EALDH1A1
SCHEMBL353814 0.77 NNMT (0.54) NNMTKDM4EALDH1A1HTTMEN1
SCHEMBL29795195 0.77 NNMT (0.54) NNMTKDM4EALDH1A1HTTMEN1

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-2025045777-A1 INHIBITORS OF PCSK9 DRAUPNIR BIO APS (DK) 2025-03-06 WO disclosed