SCHEMBL5490592

SCHEMBL5490592

Cc1nccc([N+](=O)[O-])c1C(=O)Oc1ccc(OCc2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.42
MAOB P27338 2/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MAOA P21397 1/20 0.39
SLC2A1 P11166 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLA2G4B P0C869 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5481728 0.74 MAPT (0.48) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL3181584 0.71 MAPT (0.64) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2475360 0.69 L3MBTL1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5489767 0.68 DHODH (0.41) NPC1MEN1KMT2ALMNAMAOB
SCHEMBL28560223 0.68 TDP1 (0.42) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL214372 0.67 MAPT (0.62) NPC1MEN1KMT2ARAB9AATM
SCHEMBL215742 0.67 TLR4 (0.47) NPC1MEN1KMT2ARAB9AATM
SCHEMBL23918341 0.66 MAOB (0.68) MEN1KMT2AALDH1A1MAPTMAOB
SCHEMBL169752 0.66 MAOB (0.54) NPC1RAB9AALDH1A1MAPTMAOB
SCHEMBL6959187 0.65 MAOB (0.71) ALDH1A1MAOBMAOASMN1; SMN2

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed