SCHEMBL28039804

SCHEMBL28039804

Sc1ccccc1Cc1ccccc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.50
HTR2A P28223 1/20 0.48
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.41
HRH1 P35367 1/20 0.41
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL352619 0.98 CALM1 (0.52) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL17415872 0.95 CALM1 (0.50) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL28040183 0.95 CALM1 (0.50) CALM1HTR2ABCL2BCL2L1DRD2
Biphenyl SCHEMBL29006612 0.91 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1DRD2
SCHEMBL21380600 0.84 KEAP1 (0.42) CALM1HTR2ABCL2BCL2L1DRD2
Benzene SCHEMBL29152301 0.83 KEAP1 (0.62) BCL2BCL2L1ALOX5
SCHEMBL21380597 0.82 HSPA5 (0.46) CALM1IDO1MEN1KMT2A
SCHEMBL21669269 0.80 KEAP1 (0.39) HTR2ABCL2BCL2L1L3MBTL1IDO1
SCHEMBL4456400 0.80 MEN1 (0.43) IDO1HPGDMEN1KMT2A
SCHEMBL38660310 0.80 MEN1 (0.43) IDO1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008427-B Block copolymer and its manufacture method 东丽株式会社 2017-03-08 CN disclosed
CN-105008427-A Block copolymer and production method for same TORAY INDUSTRIES 2015-10-28 CN disclosed