SCHEMBL28112604

SCHEMBL28112604

Clc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.56
CYP2A6 P11509 3/20 0.56
NR4A2 P43354 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP3A4 P08684 4/20 0.39
SLC6A4 P31645 3/20 0.39
DRD2 P14416 2/20 0.39
SLC6A2 P23975 2/20 0.39
CYP2C19 P33261 2/20 0.39
SLC6A3 Q01959 2/20 0.39
NPC1 O15118 1/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ABCB1 P08183 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL30735587 0.87 HTR6 (0.54) CYP1A2CYP2A6SLC6A4SLC6A2SLC6A3
SCHEMBL19284659 0.87 HTR6 (0.54) CYP1A2CYP2A6SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL19284709 0.85 HTR2C (0.53) CYP1A2CYP2A6SLC6A4SLC6A2SLC6A3
SCHEMBL19297018 0.79 CYP1A2 (0.46) CYP1A2CYP2A6NR4A2KMT2AMEN1
SCHEMBL29209718 0.79 ACHE (0.41) CYP1A2NR4A2KMT2AMEN1CYP3A4
SCHEMBL22953975 0.77 CYP1A2 (0.41) CYP1A2CYP2A6NR4A2KMT2ACYP3A4
SCHEMBL29494605 0.75 CYP2A6 (1.00) CYP1A2CYP2A6NR4A2KMT2AMEN1
SCHEMBL2473555 0.75 CYP2A6 (1.00) CYP1A2CYP2A6NR4A2KMT2AMEN1
SCHEMBL29261846 0.75 CYP2A6 (0.52) CYP1A2CYP2A6NR4A2KMT2ANPC1
SCHEMBL19942354 0.74 HTR6 (0.38) CYP1A2CYP3A4SLC6A4DRD2CYP2C19

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
CN-106187927-A A kind of preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2016-12-07 CN claimed
CN-106187927-B Preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2020-02-04 CN disclosed
CN-106187927-B Preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2020-02-04 CN disclosed
CN-106187927-A A kind of preparation method of Lesinurad intermediate 山东川成医药股份有限公司 2016-12-07 CN disclosed