SCHEMBL28481093

SCHEMBL28481093

CCCCc1cccc(Sc2ccccc2N=C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ HTR2C P28335 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ LPL P06858 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ XIAP P98170 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 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
SCHEMBL28475405 0.92 HPGD (0.41) HPGDHTR2CHTR6CYP3A4PRMT1
SCHEMBL28471916 0.87 HPGD (0.43) HPGDHTR2CHTR6CYP3A4PRMT1
SCHEMBL19712976 0.84 CYP3A4 (0.35) HPGDCYP3A4
SCHEMBL5905723 0.78 CYP3A4 (0.38) HPGDCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL17847492 0.78 CYP3A4 (0.40) CYP3A4LIPGSLC6A2SLC6A4SLC6A3
SCHEMBL28479110 0.77 CYP3A4 (0.47) HPGDCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL17847452 0.77 CYP3A4 (0.42) HPGDHTR2CHTR6CYP3A4SLC6A2
SCHEMBL19712993 0.75 HTR2C (0.34) HPGDHTR2CHTR6CYP3A4SLC6A4
SCHEMBL28481092 0.75 GPR3 (0.36) CYP3A4LPLLIPGSLC6A2SLC6A4
SCHEMBL10979160 0.75 GABRA1 (0.39) HPGDCYP3A4SLC6A2SLC6A4SLC6A3

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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