SCHEMBL4751206

SCHEMBL4751206

O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])c2[nH]nnc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
GAA P10253 1/20 0.60
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 4/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALPL P05186 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KDM6B O15054 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41

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
SCHEMBL4751207 1.00 RAB9A (0.60) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL3018973 0.74 LMNA (0.48) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL3018977 0.74 LMNA (0.48) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL27986799 0.69 RAB9A (0.60) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL30521498 0.68 IDO1 (0.52) RAB9AGAAALDH1A1MAPTMEN1
SCHEMBL15063512 0.68 PKM (0.80) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL6169173 0.67 MAPT (0.65) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL9172490 0.66 MAPT (0.45) RAB9AALDH1A1MAPTNPC1MEN1
Silver SCHEMBL9172484 0.66 MAPT (0.45) RAB9AALDH1A1MAPTNPC1MEN1
SCHEMBL4016784 0.66 ALDH1A1 (0.73) RAB9AGAAALDH1A1MAPTNPC1

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-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 WO disclosed