SCHEMBL31519086

SCHEMBL31519086

CCc1nc(-c2ncc(Br)cn2)n(-c2cccc(C(=O)NCCCCn3nccn3)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.72
CYP3A4 P08684 3/20 0.72
MYOF Q9NZM1 2/20 0.72
CYP2C19 P33261 1/20 0.72
CYP2D6 P10635 3/20 0.64
CYP1A2 P05177 2/20 0.44
CYP2B6 P20813 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.38
CDK8 P49336 4/20 0.38
MAPK14 Q16539 4/20 0.38
PKN2 Q16513 2/20 0.38
TP53BP1 Q12888 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDR P35968 1/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 1/20 0.37
PDGFRA P16234 1/20 0.37
GRK5 P34947 1/20 0.37

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) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519113 0.90 CYP2C9 (0.60) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519128 0.90 CYP2C9 (0.60) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519087 0.90 CYP2C9 (0.83) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519096 0.87 CYP2C9 (0.58) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519098 0.87 CYP2C9 (0.58) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519112 0.87 CYP2C9 (0.84) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519093 0.86 CYP2C9 (0.57) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519108 0.86 CYP2C9 (0.85) CYP2C9CYP3A4MYOFCYP2C19CYP2D6
SCHEMBL31519116 0.86 CYP2C9 (0.56) 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