SCHEMBL29246709

SCHEMBL29246709

CN(C)/C=C/C(=O)c1ccc(Br)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.60
LMNA P02545 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 2/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 7/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL15219123 0.85 LMNA (0.63) RECQLLMNARAB9APOLBGAA
SCHEMBL2066283 0.85 RECQL (0.58) RECQLLMNARAB9APOLBGAA
SCHEMBL2066285 0.85 RECQL (0.58) RECQLLMNARAB9APOLBGAA
SCHEMBL30963324 0.85 RECQL (0.58) RECQLLMNARAB9APOLBGAA
SCHEMBL29246711 0.85 POLB (0.50) RECQLLMNARAB9APOLBGAA
SCHEMBL25280307 0.84 GAA (0.65) RECQLLMNARAB9APOLBGAA
SCHEMBL29246764 0.84 MAPT (0.57) RECQLLMNARAB9APOLBGAA
SCHEMBL25691607 0.84 GAA (0.65) RECQLLMNARAB9APOLBGAA
SCHEMBL29246712 0.84 CYP1A2 (0.57) RECQLLMNARAB9APOLBGAA
SCHEMBL29246799 0.83 MAPT (0.60) RECQLLMNARAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN claimed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN claimed
CN-118307411-A Preparation method of 2-acyl naphthol compound 西北工业大学 2024-07-09 CN claimed
CN-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN disclosed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN disclosed
CN-118307411-A Preparation method of 2-acyl naphthol compound 西北工业大学 2024-07-09 CN disclosed