SCHEMBL28224513

SCHEMBL28224513

CCCCCCCCc1ccccc1N=Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYSLTR2 Q9NS75 6/20 0.40
CYSLTR1 Q9Y271 6/20 0.40

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
SCHEMBL10431204 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL28170227 1.00 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL16100132 0.98 CYP3A4 (0.46) LIPGCYP3A4CYP2D6CYP2C9BID
Nitrogen SCHEMBL16700966 0.95 CYP3A4 (0.44) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL11881831 0.93 CYP3A4 (0.51) LIPGCYP3A4CYP2D6CYP2C9PPARA
SCHEMBL21065715 0.91 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL27996711 0.88 CYP3A4 (0.40) LIPGCYP3A4CYP2D6CYP2C9BID
Acrylic Acid SCHEMBL26639832 0.88 THRA (0.51) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL28093073 0.88 LIPG (0.47) LIPGCYP3A4CYP2D6CYP2C9BID
SCHEMBL28365825 0.88 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066252-A A kind of preparation method of ultraviolet absorbing agent UV-329 襄阳金达成精细化工有限公司 2019-07-30 CN claimed
CN-110092763-A A kind of preparation method of ultraviolet absorbing agent UV-328 襄阳金达成精细化工有限公司 2019-08-06 CN disclosed
CN-110066252-A A kind of preparation method of ultraviolet absorbing agent UV-329 襄阳金达成精细化工有限公司 2019-07-30 CN disclosed
CN-108375881-A Toner and image forming method 柯尼卡美能达株式会社 2018-08-07 CN disclosed