SCHEMBL31519082

SCHEMBL31519082

CCc1nc(-c2ncc(OC)cn2)n(-c2cccc(C(=O)NCCCCn3ncnn3)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.72
CYP2D6 P10635 3/20 0.72
MYOF Q9NZM1 2/20 0.72
CYP3A4 P08684 3/20 0.69
CYP2C19 P33261 1/20 0.69
CYP1A2 P05177 2/20 0.48
CYP2B6 P20813 2/20 0.48
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD3 P35462 3/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
DRD4 P21917 5/20 0.38
DRD2 P14416 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL31519115 0.91 CYP2C9 (0.82) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519074 0.91 CYP2C9 (0.84) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519113 0.91 CYP2C9 (0.60) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519079 0.86 CYP2C9 (0.74) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519104 0.83 CYP2C9 (0.81) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519086 0.83 CYP2C9 (0.72) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519075 0.82 CYP2C9 (1.00) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519117 0.81 CYP2C9 (0.86) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519121 0.81 CYP2C9 (0.98) CYP2C9CYP2D6MYOFCYP3A4CYP2C19
SCHEMBL31519091 0.81 CYP2C9 (0.98) CYP2C9CYP2D6MYOFCYP3A4CYP2C19

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