SCHEMBL12903809

SCHEMBL12903809

CNCCCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ POLB P06746 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL12864201 0.92 DAO (0.52) DAOPOLBGAAGPR84KDM4E
SCHEMBL1171059 0.86 DAO (0.54) DAOGAAGPR84KDM4EALDH1A1
SCHEMBL1171173 0.85 DAO (0.63) DAOPOLBGAAGPR84KDM4E
SCHEMBL1170889 0.85 GPR84 (0.53) DAOGPR84KDM4EALDH1A1RAB9A
SCHEMBL1171408 0.84 GPR84 (0.55) DAOPOLBGPR84KDM4EALDH1A1
SCHEMBL12864156 0.84 GPR84 (0.55) DAOPOLBGPR84KDM4EALDH1A1
SCHEMBL1170986 0.83 DAO (0.56) DAOPOLBGAAGPR84KDM4E
SCHEMBL1171135 0.82 DAO (0.50) DAOPOLBGAAGPR84KDM4E
SCHEMBL12864137 0.82 DAO (0.50) DAOPOLBGAAGPR84KDM4E
SCHEMBL1170929 0.81 DAO (0.58) DAOPOLBGAAGPR84KDM4E

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-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
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