SCHEMBL29434776

SCHEMBL29434776

CNCc1ccccc1C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HPGD P15428 2/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
PSMB5 P28074 1/20 0.41
CXCR2 P25025 2/20 0.40
KCNH2 Q12809 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL16065930 1.00 POLB (0.50) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL12433989 0.89 MEN1 (0.54) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL10014679 0.82 MEN1 (0.53) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL3130427 0.81 HIF1A (0.54) KMT2ASMN1; SMN2HPGDTP53HTT
SCHEMBL14429809 0.81 HPGD (0.43) POLBSMN1; SMN2HPGDSLC6A2SLC6A4
SCHEMBL5255270 0.81 MEN1 (0.56) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL5255263 0.81 KMT2A (0.52) POLBMEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL22927819 0.80 SLC6A4 (0.37) POLBMEN1KMT2AHPGDSLC6A2
SCHEMBL4019795 0.79 HPGD (0.45) HPGD
Hydrochloric Acid SCHEMBL29444036 0.79 HIF1A (0.53) KMT2AHPGDTP53HTT

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-114174290-A Modulators of TREX1 星座制药公司 2022-03-11 CN disclosed