SCHEMBL4573266

SCHEMBL4573266

COCCOc1ccc(Br)cc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1930261 0.95 KMT2A (0.55) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL13642025 0.86 KDM4E (0.50) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL5173975 0.85 KDM4E (0.45) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL1516692 0.85 FBP1 (0.44) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL31053304 0.85 FBP1 (0.44) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL2618834 0.83 KDM4E (0.49) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL4816249 0.83 HPGD (0.57) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL7931144 0.82 HTT (0.54) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL12121221 0.81 KDM4E (0.52) KDM4EKMT2AALDH1A1MEN1RAB9A
SCHEMBL13642366 0.81 KMT2A (0.50) KDM4EKMT2AALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023286768-A1 HYDROGENATED QUINOXALINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed