SCHEMBL8016102

SCHEMBL8016102

Cc1c(Cc2ccc(C#N)cc2)oc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
ALPL P05186 2/20 0.44
ALPI P09923 2/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ACHE P22303 1/20 0.40
MAOA P21397 3/20 0.39
MAP2K1 Q02750 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8017452 0.86 MAPT (0.42) MAOBALPLALPIMAPTMEN1
SCHEMBL8032293 0.79 MAOB (0.47) MAOBACHEMAOAALDH1A1
SCHEMBL8015825 0.76 KCNH2 (0.43) MAOBMAPTMEN1KMT2AKCNH2
SCHEMBL3086161 0.72 MEN1 (0.61) ALPLALPIMAPTMEN1KMT2A
SCHEMBL7353014 0.70 MAPT (0.52) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL8126496 0.67 MEN1 (0.42) MAOBALPLALPIMAPTMEN1
SCHEMBL960393 0.67 HSD17B3 (0.70) MAOBMAPTMEN1KMT2AMAP2K1
SCHEMBL6635455 0.67 KCNJ1 (0.47) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL7449274 0.67 HSD17B3 (0.44) MAOBALPLALPIACHEMAOA
SCHEMBL7703302 0.67 MEN1 (0.82) MAPTMEN1KMT2ACYP11B1CYP11B2

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed