SCHEMBL30834612

SCHEMBL30834612

NC(=O)c1cccnc1NC1CCC1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AHR P35869 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
PARP1 P09874 1/20 0.38
RPS6KB1 P23443 2/20 0.37
AURKA O14965 1/20 0.37
SYK P43405 6/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL4584445 0.77 MAPT (0.55) MAPTALDH1A1RAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL22609596 0.76 MAPT (0.54) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL2718370 0.74 SYK (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3718998 0.74 MAPT (0.52) MAPTALDH1A1RAB9ANPC1KCNH2
SCHEMBL28320641 0.73 ALDH1A1 (0.50) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL28282980 0.72 MAPK8 (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3638560 0.71 MAPK1 (0.50) MAPTALDH1A1RAB9ANPC1KCNH2
SCHEMBL28079567 0.70 RPS6KB1 (0.65) MAPTALDH1A1KCNH2HPGDKDM4E
SCHEMBL30115228 0.69 MAPT (0.47) MAPTALDH1A1RAB9ANPC1KCNH2
SCHEMBL3716905 0.69 ALDH1A1 (0.62) MAPTALDH1A1RAB9ANPC1MEN1

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-114149409-B (hetero) aryl amide compound with protein kinase inhibition activity 中国药科大学 2024-03-22 CN disclosed