SCHEMBL27677971

SCHEMBL27677971

CSc1ccc2c(c1)C=CC2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TYMS P04818 1/20 0.30

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
SCHEMBL17733488 0.81 HTR2A (0.35) HTR7HTR2AHTR2CHTR2BMCL1
SCHEMBL1478317 0.74
SCHEMBL924413 0.72 CYP1A2 (0.35) HTR2BCA1CA2
SCHEMBL9629684 0.72 CA1 (0.34) CA1CA2
SCHEMBL11795867 0.71 HTR7 (0.35) HTR7HTR2AHTR2CHTR2BMCL1
SCHEMBL275807 0.70 CA1 (0.33) CA1CA2
SCHEMBL2965557 0.69
SCHEMBL924411 0.68 CA1 (0.32) CA1CA2
SCHEMBL2965930 0.68 TRPA1 (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL1786889 0.68 HTR2C (0.38) HTR2AHTR2CHTR2BCA1CA2

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-114669077-B Purification system and purification method of 2-methylnaphthalene 煤炭科学技术研究院有限公司 2024-04-16 CN disclosed
CN-114669077-A Purification system and purification method of 2-methylnaphthalene 煤炭科学技术研究院有限公司 2022-06-28 CN disclosed
CN-100506762-C Purification method of beta-methylnaphthalene BAOSHAN & IRON STEEL CO LTD (CN) 2009-07-01 CN disclosed
CN-101028988-A Purification method of beta-methylnaphthalene BAOSHAN & IRON STEEL CO LTD (CN) 2007-09-05 CN disclosed