SCHEMBL27768183

SCHEMBL27768183

Cc1ccc(NC(=O)CF)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.59
KCNMA1 Q12791 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL10977960 0.87 RAB9A (0.63) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL31159595 0.85 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL1704376 0.83 ALDH1A1 (0.71) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL11591034 0.83 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL8396995 0.82 NPC1 (0.72) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL1532370 0.81 MAPT (0.66) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL10889343 0.80 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5523947 0.80 KCNMA1 (0.64) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL6004947 0.79 CYP1A2 (0.65) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL2884065 0.79 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1MAPTLMNA

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-101426778-A N-substituted-azacyclylamines as histamine-3 antagonists WYETH CORP (US) 2009-05-06 CN disclosed