SCHEMBL13425902

SCHEMBL13425902

CC(C)(C)OC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD51 Q06609 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN4A P35499 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
NR1D1 P20393 1/20 0.35
PHGDH O43175 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
SCHEMBL13425878 0.85 SMN1; SMN2 (0.38) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13425444 0.85 MAPT (0.39) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL13425908 0.84 L3MBTL1 (0.39) MAPTALDH1A1LMNABCL2MAPK1
SCHEMBL13426424 0.84 F2RL1 (0.41) RAB9ANPC1
SCHEMBL13426524 0.84 MAPT (0.47) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13426422 0.84 TSHR (0.40) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3396698 0.83 GABRA1 (0.44) ALDH1A1RAB9ASMN1; SMN2RAD51SCN4A
SCHEMBL13426455 0.83 HTT (0.45) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13425786 0.81 F2RL3 (0.39) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL13425963 0.81 RARG (0.42) ALDH1A1LMNARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed