SCHEMBL29246711

SCHEMBL29246711

Cc1ccc(C(=O)/C=C/N(C)C)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
LMNA P02545 3/20 0.50
RECQL P46063 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 3/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL15031627 0.87 POLB (0.50) POLBLMNARECQLRAB9AGAA
SCHEMBL29246709 0.85 RECQL (0.60) POLBLMNARECQLRAB9AGAA
SCHEMBL29246764 0.83 MAPT (0.57) POLBLMNARECQLRAB9AGAA
SCHEMBL29246712 0.83 CYP1A2 (0.57) POLBLMNARECQLRAB9AGAA
SCHEMBL17708979 0.82 MAPT (0.54) POLBLMNARECQLRAB9AGAA
SCHEMBL17708975 0.82 MAPT (0.54) POLBLMNARECQLRAB9AGAA
SCHEMBL30497413 0.82 MAPT (0.54) POLBLMNARECQLRAB9AGAA
SCHEMBL29246799 0.81 MAPT (0.60) POLBLMNARECQLRAB9AGAA
SCHEMBL24912699 0.79 POLB (0.45) POLBLMNARECQLRAB9AGAA
SCHEMBL28749214 0.79 CSNK2A1 (0.53) POLBRECQLRAB9AGAAALDH1A1

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