SCHEMBL27703402

SCHEMBL27703402

CCCC(=O)ON1C(=O)C(=O)c2c(Br)cccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.38
▸ CDC25B P30305 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ F2R P25116 2/20 0.32
▸ ALDH1A1 P00352 6/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CYP1B1 Q16678 2/20 0.31
▸ MAPT P10636 4/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL27703282 0.84 CES1 (0.38) CES1ALDH1A1ELANE
SCHEMBL27723886 0.78 CES1 (0.58) CES1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27703400 0.71 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL8898794 0.70 POLB (0.54) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL28476821 0.69 ALDH1A1 (0.55) CES1KMT2AMEN1ALDH1A1MAPT
SCHEMBL28154104 0.69 CYP1B1 (0.47) CES1ALDH1A1HSD17B10CYP1B1MAPT
SCHEMBL3678891 0.69 ALDH1A1 (0.50) CES1KMT2AMEN1ALDH1A1MAPT
SCHEMBL27703278 0.68 ALDH3A1 (0.43) CES1ALDH1A1TSHRAGTR1
SCHEMBL2290914 0.67 TTR (0.50) CES1KMT2AMEN1ALDH1A1MAPT
SCHEMBL24169113 0.67 TDP1 (0.58) KMT2AMEN1ALDH1A1HSD17B10CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103271906-A Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC 2013-09-04 — — CN disclosed
CN-102153562-A Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2011-08-17 — — CN disclosed
CN-101631546-A Use of spiro-indolone compounds as therapeutic agents XENON PHARMACEUTICALS INC 2010-01-20 — — CN disclosed
CN-101213174-A Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-07-02 — — CN disclosed
CN-101184761-A Spiro-indolone compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-05-21 — — CN disclosed
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