SCHEMBL28949513

SCHEMBL28949513

CC(C)c1ccc(Nc2ncccc2C(N)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.78
MEN1 O00255 8/20 0.78
KMT2A Q03164 8/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
NPC1 O15118 7/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
MAPT P10636 8/20 0.72
AHR P35869 1/20 0.72
LMNA P02545 2/20 0.56
ALDH1A1 P00352 8/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.56
DHODH Q02127 4/20 0.55
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
KCNH2 Q12809 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL29898256 1.00 RAB9A (0.78) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29898269 0.84 RAB9A (1.00) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28824933 0.84 RAB9A (0.76) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29898323 0.84 RAB9A (0.76) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28824955 0.84 RAB9A (1.00) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL479805 0.82 DHODH (0.76) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29133468 0.82 RAB9A (0.74) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29421217 0.81 RAB9A (0.73) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29686385 0.80 RAB9A (0.71) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23423252 0.78 MAPT (0.68) RAB9AMEN1KMT2ASMN1; 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