SCHEMBL31519087

SCHEMBL31519087

CCc1nc(-c2ccc(Br)cc2)n(-c2cccc(C(=O)NCCCCn3nccn3)c2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.83
CYP3A4 P08684 3/20 0.83
MYOF Q9NZM1 2/20 0.83
CYP2C19 P33261 1/20 0.83
CYP2D6 P10635 3/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2B6 P20813 2/20 0.51
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDK8 P49336 3/20 0.38

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
SCHEMBL31519108 0.93 CYP2C9 (0.85) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519097 0.92 CYP2C9 (0.84) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519112 0.92 CYP2C9 (0.84) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519114 0.91 CYP2C9 (0.83) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519094 0.91 CYP2C9 (0.83) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519089 0.91 CYP2C9 (0.83) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519110 0.91 CYP2C9 (0.83) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519075 0.91 CYP2C9 (1.00) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519084 0.90 CYP2C9 (0.80) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519091 0.90 CYP2C9 (0.98) CYP2C9CYP3A4MYOFCYP2C19CYP2D6

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-119528884-A 1, 5-Diaryl-1, 2, 4-triazole derivative targeted at Myoferlin as well as synthesis and application thereof 华东师范大学 2025-02-28 CN claimed
CN-119528884-A 1, 5-Diaryl-1, 2, 4-triazole derivative targeted at Myoferlin as well as synthesis and application thereof 华东师范大学 2025-02-28 CN disclosed