SCHEMBL28824923

SCHEMBL28824923

Cc1cc(C)cc(Nc2cnc(Nc3cc(C)cc(F)c3)c(C(N)=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SYK P43405 14/20 0.47
LMNA P02545 1/20 0.45
TYK2 P29597 2/20 0.42
CSF1R P07333 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28824948 0.93 LMNA (0.48) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL29898301 0.93 LMNA (0.48) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL29898255 0.91 MAPT (0.45) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL28824931 0.91 MAPT (0.45) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL29898313 0.89 MAPT (0.46) SYKCSF1RNPC1MAPTAHR
SCHEMBL28824953 0.89 NPC1 (0.45) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL28949528 0.89 SYK (0.44) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL28824952 0.89 MAPT (0.46) SYKCSF1RNPC1MAPTAHR
SCHEMBL29898300 0.89 SYK (0.44) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL28824929 0.89 CSF1R (0.45) HDAC3HDAC1HDAC2HDAC6SYK

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-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