SCHEMBL29246764

SCHEMBL29246764

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
HPGD P15428 3/20 0.57
CYP1A2 P05177 2/20 0.57
ALOX12 P18054 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 9/20 0.55
GAA P10253 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 5/20 0.49
RAB9A P51151 6/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 2/20 0.49
KMT2A Q03164 5/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 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
SCHEMBL31039332 0.88 MAPT (0.57) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL29246709 0.84 RECQL (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL30052762 0.84 MAPT (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL4221175 0.84 MAPT (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL4221172 0.84 MAPT (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL29076332 0.83 MAPT (0.58) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL29246711 0.83 POLB (0.50) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL29246712 0.81 CYP1A2 (0.57) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL8798626 0.81 MAPT (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19
SCHEMBL8798630 0.81 MAPT (0.60) MAPTHPGDCYP1A2ALOX12CYP2C19

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