SCHEMBL30452337

SCHEMBL30452337

CC(C)c1n[nH]c(=O)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK8 P45983 1/20 0.41
CHEK1 O14757 2/20 0.40
PARP1 P09874 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
DAO P14920 1/20 0.39
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL24076266 1.00 POLB (0.44) POLBLMNAHTTNPSR1MAPK8
SCHEMBL22552265 0.81 POLB (0.44) POLBMAPK8CHEK1TSHRSMN1; SMN2
SCHEMBL30319347 0.79 POLB (0.40) POLBLMNAHTTNPSR1CHEK1
SCHEMBL26738078 0.78 TSHR (0.44) POLBHTTPARP1KMT2ATSHR
SCHEMBL24076922 0.78 POLB (0.42) POLBCHEK1TSHRPRMT5WDR77
SCHEMBL30231242 0.78 DYRK1A (0.46) POLBLMNATSHRPRMT5WDR77
SCHEMBL24076915 0.78 DYRK1A (0.46) POLBLMNATSHRPRMT5WDR77
SCHEMBL24076279 0.78 POLB (0.42) POLBHTTKMT2ATSHRSMN1; SMN2
SCHEMBL16675892 0.78 GSK3B (0.44) LMNACHEK1PARP1SMN1; SMN2TP53
SCHEMBL17229811 0.78 FADS1 (0.45) LMNACHEK1KMT2AFABP3FABP4

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-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 CN disclosed