SCHEMBL22318888

SCHEMBL22318888

CCc1ccccc1Sc1ccccc1N=C=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.49
▸ GABRB2 P47870 2/20 0.49
▸ CYP3A4 P08684 1/20 0.43
▸ SLC6A4 P31645 8/20 0.38
▸ SLC6A2 P23975 7/20 0.38
▸ SLC6A3 Q01959 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IFNAR1 P17181 1/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19712977 0.89 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A4SLC6A2
SCHEMBL17847492 0.86 CYP3A4 (0.40) GABRA1GABRB2CYP3A4SLC6A4SLC6A2
SCHEMBL29808667 0.86 CYP3A4 (0.50) GABRA1GABRB2CYP3A4ALDH1A1TDP1
SCHEMBL8937141 0.86 CYP3A4 (0.50) GABRA1GABRB2CYP3A4ALDH1A1TDP1
SCHEMBL28174829 0.85 SLC6A4 (0.44) GABRA1GABRB2CYP3A4SLC6A4SLC6A2
SCHEMBL17847503 0.84 LIPG (0.41) GABRA1GABRB2CYP3A4
SCHEMBL17847453 0.81 GABRA1 (0.44) GABRA1GABRB2CYP3A4SLC6A4SLC6A2
SCHEMBL10979160 0.80 GABRA1 (0.39) GABRA1GABRB2CYP3A4SLC6A4SLC6A2
SCHEMBL93290 0.80 GABRA1 (0.61) GABRA1GABRB2CYP3A4ALDH1A1TDP1
SCHEMBL29795971 0.80 GABRA1 (0.61) GABRA1GABRB2CYP3A4ALDH1A1TDP1

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-107223121-B Wet stable holographic media 科思创德国股份有限公司 2020-10-27 — — CN disclosed
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 — — EP disclosed
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