SCHEMBL29898323

SCHEMBL29898323

NC(=O)c1cccnc1Nc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
SMN1; SMN2 Q16637 6/20 0.76
DHODH Q02127 4/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
MAPT P10636 5/20 0.74
NPC1 O15118 4/20 0.74
AHR P35869 1/20 0.74
ALDH1A1 P00352 5/20 0.64
HPGD P15428 2/20 0.64
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.56
KCNH2 Q12809 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL28824933 1.00 RAB9A (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL9469395 0.86 DHODH (1.00) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL479805 0.86 DHODH (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL29898269 0.85 RAB9A (1.00) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL28824955 0.85 RAB9A (1.00) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL16616388 0.85 RAB9A (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL29421217 0.84 RAB9A (0.73) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL5255345 0.84 LMNA (0.71) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL29898256 0.84 RAB9A (0.78) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL28949513 0.84 RAB9A (0.78) RAB9ASMN1; SMN2DHODHMEN1KMT2A

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