SCHEMBL27680469

SCHEMBL27680469

NCc1ccc(CCc2c[nH]c(C(=O)O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 8/20 0.71
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
NOTUM Q6P988 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TPSAB1 Q15661 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ABAT P80404 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL27680470 0.89 DAO (0.57) DAOGAARAB9ASMYD3NOTUM
SCHEMBL875351 0.86 DAO (0.54) DAOGAARAB9ASMYD3NOTUM
SCHEMBL1149656 0.84 DAO (0.73) DAOGAARAB9ANOTUM
Hydrochloric Acid SCHEMBL6941257 0.84 DAO (0.53) DAOGAARAB9ASMYD3NOTUM
SCHEMBL1149408 0.83 DAO (0.71) DAOGAARAB9ATDP1KDM4E
SCHEMBL679780 0.83 DAO (1.00) DAOGAARAB9ANOTUM
SCHEMBL1149716 0.83 DAO (0.71) DAOGAARAB9ANOTUM
SCHEMBL1149419 0.83 DAO (0.71) DAOGAARAB9A
SCHEMBL1225699 0.82 DAO (0.60) DAOGAARAB9ANOTUMTDP1
SCHEMBL28943248 0.81 DAO (0.56) DAOGAARAB9ANOTUMTDP1

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
CN-1922149-A Pyrrole and pyrazole daao inhibitors SEPRACOR INC (US) 2007-02-28 CN disclosed