SCHEMBL28601628

SCHEMBL28601628

O=[N+]([O-])c1c(F)cc(Br)cc1Nc1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.45
▸ KMT2A Q03164 7/20 0.43
▸ GFER P55789 1/20 0.42
▸ RAB9A P51151 7/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL29391420 1.00 PRMT1 (0.45) PRMT1KMT2AGFERRAB9ANPC1
SCHEMBL29394293 0.79 MEN1 (0.45) PRMT1KMT2AGFERRAB9ANPC1
SCHEMBL28596239 0.79 MEN1 (0.45) PRMT1KMT2AGFERRAB9ANPC1
SCHEMBL2781010 0.72 RAB9A (0.59) KMT2ARAB9ANPC1MAPTPKM
SCHEMBL29393690 0.71 MEN1 (0.51) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL21644023 0.71 TDP1 (0.47) PRMT1KMT2AGFERRAB9ANPC1
SCHEMBL28601530 0.71 MEN1 (0.51) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL2329401 0.69 RAB9A (0.50) PRMT1KMT2ARAB9ANPC1MAPT
SCHEMBL4349815 0.69 NPC1 (0.65) KMT2ARAB9ANPC1MAPTPKM
SCHEMBL28388781 0.69 CA1 (0.34) KMT2ATDP1MEN1ALDH1A1

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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