SCHEMBL28824946

SCHEMBL28824946

Cc1cc(F)cc(Nc2ncccc2C(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
MAPT P10636 5/20 0.67
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 4/20 0.67
AHR P35869 1/20 0.67
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KCNH2 Q12809 1/20 0.52
DHODH Q02127 2/20 0.51
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SYK P43405 3/20 0.45
RPS6KB1 P23443 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 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
SCHEMBL29898274 1.00 LMNA (0.70) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9496511 0.83 LMNA (1.00) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5083062 0.83 RAB9A (0.72) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28824955 0.81 RAB9A (1.00) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29898269 0.81 RAB9A (1.00) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28824923 0.81 HDAC3 (0.48) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2713370 0.81 LMNA (0.72) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28824948 0.80 LMNA (0.48) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29898301 0.80 LMNA (0.48) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL15635771 0.78 DHODH (0.76) LMNAMAPTRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574053-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-08-11 CN disclosed
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 CN disclosed