SCHEMBL6372476

SCHEMBL6372476

Cc1cc(Br)cc(C(=O)N2CCCC2)c1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 10/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL29334052 0.80 HPGD (0.55) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL256310 0.78 HPGD (0.59) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL21189714 0.78 HPGD (0.58) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL31536222 0.77 HPGD (0.59) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL2104229 0.76 HPGD (0.59) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL5094255 0.76 L3MBTL3 (0.58) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL31536263 0.75 HPGD (0.54) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL21608579 0.75 KDM4E (0.65) GAAHPGDALDH1A1KMT2ATSHR
SCHEMBL2154955 0.74 KDM4E (0.46) ALDH1A1MEN1KMT2ATSHRHTT
SCHEMBL221718 0.74 KDM4E (0.66) MEN1KMT2AKDM4EMAPT

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
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US disclosed
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