SCHEMBL25252348

SCHEMBL25252348

O=C(Oc1cc(Br)ccc1[N+](=O)[O-])C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ VCAM1 P19320 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29246356 0.89 SMN1; SMN2 (0.41) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL11829181 0.83 KMT2A (0.42) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL15522753 0.79 NPC1 (0.40) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL25294499 0.79 CFD (0.43) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL9027345 0.79 RAB9A (0.54) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL26961596 0.78 MAPK1 (0.45) KMT2AMEN1RAB9AL3MBTL1MAPT
SCHEMBL20774839 0.76 MEN1 (0.52) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL30007195 0.76 SCD (0.39) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL17304125 0.76 SCD (0.39) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL25296877 0.75 RAB9A (0.38) KMT2AMEN1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291193-A1 EGFR DEGRADERS AND METHODS OF USE BeiGene Switzerland GmbH (CH) 2023-12-20 — — EP disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 — — WO disclosed
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