SCHEMBL483709

SCHEMBL483709

O=C1Nc2cccc(Br)c2C1CCCCCc1cc2c(cc1O)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 4/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.32
HDAC3 O15379 4/20 0.32
HDAC1 Q13547 4/20 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
SCHEMBL281583 0.74 MAPT (0.38) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL31440058 0.68 HTR2A (0.40) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL281990 0.65 L3MBTL1 (0.36) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL31439973 0.64 BRD4 (0.40) HDAC2HDAC6HDAC8
SCHEMBL2363085 0.62 MAPT (0.35) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL384890 0.62 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1MAPTHPGD
SCHEMBL281811 0.62 KMT2A (0.42) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL14284022 0.62 CYP3A4 (0.46) GAACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18029916 0.62 TYR (0.50) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL281923 0.62 SCN9A (0.57) ALDH1A1HSD17B10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed