SCHEMBL29176103

SCHEMBL29176103

c1ccc(C(=C(c2ccccc2)c2cccs2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
RAB9A P51151 6/20 0.53
DAO P14920 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
NPC1 O15118 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL11424654 0.82 HPGDS (0.52) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL12683491 0.80 CES2 (0.62) HPGDSRAB9ADAONPC1KMT2A
SCHEMBL6207871 0.79 HPGDS (0.58) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6206224 0.79 HPGDS (0.58) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6206230 0.79 HPGDS (0.58) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6207875 0.79 HPGDS (0.58) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL1385593 0.79 HPGDS (0.63) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6313532 0.79 HPGDS (0.63) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6714990 0.78 HPGDS (0.51) HPGDSRAB9ADAOCYP1A2CYP3A4
SCHEMBL6715199 0.78 HPGDS (0.51) HPGDSRAB9ADAOCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024401-B Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2024-01-26 CN claimed
CN-117024401-A Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2023-11-10 CN claimed
CN-117024401-B Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2024-01-26 CN disclosed
CN-117024401-B Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2024-01-26 CN disclosed
CN-117024401-B Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2024-01-26 CN disclosed
CN-117024401-A Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2023-11-10 CN disclosed
CN-117024401-A Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2023-11-10 CN disclosed
CN-117024401-A Triphenylvinyl thiophene compound and preparation method and application thereof 中国矿业大学 2023-11-10 CN disclosed