SCHEMBL28174829

SCHEMBL28174829

NCc1ccccc1Sc1ccccc1N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.44
▸ SLC6A2 P23975 10/20 0.44
▸ SLC6A3 Q01959 6/20 0.44
▸ CYP3A4 P08684 1/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ PNMT P11086 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPY2R P49146 1/20 0.32

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
SCHEMBL22318888 0.85 GABRA1 (0.49) SLC6A4SLC6A2SLC6A3CYP3A4GABRA1
SCHEMBL29808667 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1CYP2C9
SCHEMBL8937141 0.84 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1CYP2C9
SCHEMBL19712977 0.81 GABRA1 (0.41) SLC6A4SLC6A2SLC6A3CYP3A4GABRA1
SCHEMBL27372251 0.81 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TDP1PNMT
SCHEMBL17847492 0.79 CYP3A4 (0.40) SLC6A4SLC6A2SLC6A3CYP3A4GABRA1
SCHEMBL27907181 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3PRMT3CARM1
SCHEMBL17847503 0.77 LIPG (0.41) CYP3A4GABRA1GABRB2CYP2C9
SCHEMBL19713002 0.75 CYP3A4 (0.41) CYP3A4PRMT3CARM1PRMT6PRMT8
SCHEMBL17847456 0.75 CYP3A4 (0.41) CYP3A4LMNATDP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107223121-A Wet stable holographic media 科思创德国股份有限公司 2017-09-29 — — CN disclosed
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