SCHEMBL28467702

SCHEMBL28467702

O=C=Nc1ccccc1Sc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ RHEB Q15382 1/20 0.44
▸ DHFR P00374 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ SLC6A9 P48067 6/20 0.39
▸ POLB P06746 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDE7A Q13946 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17847452 0.84 CYP3A4 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4HPGD
SCHEMBL624408 0.82 CYP3A4 (0.44) CYP3A4HPGDMEN1KMT2AMAPT
SCHEMBL28479110 0.82 CYP3A4 (0.47) SLC6A2SLC6A4SLC6A3CYP3A4IDO1
SCHEMBL28470449 0.82 CYP3A4 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4SLC6A9
SCHEMBL19712969 0.80 PDE7A (0.47) SLC6A2SLC6A4SLC6A3RHEBMEN1
SCHEMBL17847456 0.79 CYP3A4 (0.41) CYP3A4HPGDMEN1KMT2AMAPT
SCHEMBL10900010 0.79 CYP3A4 (0.40) CYP3A4
SCHEMBL28471916 0.78 HPGD (0.43) SLC6A2SLC6A4SLC6A3CYP3A4HPGD
SCHEMBL8937141 0.78 CYP3A4 (0.50) CYP3A4HPGDALDH1A1
SCHEMBL29808667 0.78 CYP3A4 (0.50) CYP3A4HPGDALDH1A1

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-B Wet stable holographic media 科思创德国股份有限公司 2020-10-27 — — CN disclosed
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