SCHEMBL28481089

SCHEMBL28481089

O=C=Nc1ccc(CSCc2ccc(N=C=O)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTPN1 P18031 3/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ GSTP1 P09211 1/20 0.31

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
SCHEMBL22318919 0.85 MMP12 (0.40) ALDH1A1TDP1CYP3A4HPGDPTGER1
SCHEMBL17847468 0.83 CYP3A4 (0.35) ALDH1A1TDP1L3MBTL1CYP3A4HPGD
SCHEMBL17847496 0.83 FOLH1 (0.49) ALDH1A1TDP1CYP3A4HPGDBACE1
SCHEMBL17847511 0.83 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1CYP3A4HPGD
SCHEMBL19713048 0.81 CNR2 (0.40) ALDH1A1TDP1CYP3A4HPGDBACE1
SCHEMBL28472275 0.81 BACE1 (0.38) ALDH1A1TDP1CYP3A4HPGDBACE1
SCHEMBL278674 0.79 CYP3A4 (0.53) ALDH1A1TDP1L3MBTL1CYP3A4HPGD
SCHEMBL17847497 0.78 PSMB5 (0.50) ALDH1A1CYP3A4HPGDBACE1
SCHEMBL28173859 0.77 PSMB5 (0.46) ALDH1A1
SCHEMBL17847473 0.76 PSMB5 (0.45) ALDH1A1

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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