SCHEMBL29739960

SCHEMBL29739960

O=[N+]([O-])c1cccc(-c2cc[nH]n2)c1OCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.35
▸ PTGES O14684 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSPB1 P04792 1/20 0.33

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
SCHEMBL26116630 1.00 RAB9A (0.35) RAB9APTGESNPC1RECQLALDH1A1
SCHEMBL11451550 0.80 RECQL (0.49) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL29740018 0.79 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1TDP1S100A4
SCHEMBL15690624 0.79 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1TDP1S100A4
SCHEMBL26123335 0.79 JMJD6 (0.40) RAB9APTGESNPC1RECQLALDH1A1
SCHEMBL11029941 0.77 NPC1 (0.51) RAB9ANPC1RECQLALDH1A1HTT
SCHEMBL29020409 0.77 S100A4 (0.35) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2062065 0.75 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1TDP1S100A4
SCHEMBL31174723 0.75 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1TDP1S100A4
SCHEMBL28345439 0.74 HSPB1 (0.46) RAB9APTGESNPC1RECQLALDH1A1

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-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
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