SCHEMBL30142983

SCHEMBL30142983

N#CN=C(NCCCCCCNC(=O)c1ccccn1)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30142965 0.89 SMN1; SMN2 (0.51) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL6615293 0.81 CYP11B1 (0.57) SMN1; SMN2NAMPTKMT2AMEN1RAB9A
SCHEMBL11166906 0.81 CDK2 (0.52) CDK2FLT4SMN1; SMN2HTTKEAP1
SCHEMBL11160665 0.80 LMNA (0.50) CDK2FLT4SMN1; SMN2KEAP1NFE2L2
SCHEMBL11166666 0.78 MEN1 (0.51) CDK2FLT4SMN1; SMN2KEAP1NFE2L2
SCHEMBL8917912 0.78 IKBKB (0.63) CDK2FLT4NAMPTKEAP1NFE2L2
SCHEMBL9147482 0.78 BCL6 (0.53) CDK2FLT4NAMPTKEAP1NFE2L2
SCHEMBL14212483 0.77 NOTUM (0.51) CDK2FLT4SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14234251 0.76 CDK2 (0.42) CDK2FLT4KEAP1NFE2L2ALDH1A1
SCHEMBL11160336 0.76 KMT2A (0.53) CDK2FLT4NAMPTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848506-B Biphenyl urea compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed