SCHEMBL13614337

SCHEMBL13614337

CCNCc1c[nH]c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
NOTUM Q6P988 2/20 0.37
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
BRD4 O60885 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HCAR3 P49019 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AKR1C3 P42330 1/20 0.32

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
SCHEMBL6899153 0.80 DAO (0.60) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL13614197 0.80 DAO (0.54) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL1149577 0.78 DAO (0.70) DAORAB9AGAANOTUMNPC1
SCHEMBL5710422 0.74 DAO (0.53) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL5858576 0.72 DAO (0.55) DAOALDH1A1HCAR2HCAR3
SCHEMBL7036291 0.72 L3MBTL1 (0.46) DAOTDP1GAACA12KDM4E
SCHEMBL2919651 0.72 DAO (0.54) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL875351 0.72 DAO (0.54) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL1225552 0.71 DAO (0.50) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL8390700 0.71 DAO (0.54) DAOALDH1A1HCAR2

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed