SCHEMBL28596239

SCHEMBL28596239

O=[N+]([O-])c1cc(F)c(Br)cc1Nc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 6/20 0.44
▸ MCL1 Q07820 2/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL29394293 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29391420 0.79 PRMT1 (0.45) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL21644023 0.79 TDP1 (0.47) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL28601628 0.79 PRMT1 (0.45) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2781010 0.77 RAB9A (0.59) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2329401 0.77 RAB9A (0.50) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL30147275 0.74 ALDH3A1 (0.63) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL18305644 0.74 ALDH3A1 (0.63) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11556220 0.72 PRMT1 (0.48) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL21672257 0.71 MAPT (0.50) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 — — CN disclosed
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