SCHEMBL8017452

SCHEMBL8017452

N#Cc1ccc(Cc2oc3cc([N+](=O)[O-])ccc3c2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNJ1 P48048 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOB P27338 2/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
VCAM1 P19320 2/20 0.36
PGR P06401 1/20 0.36
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
RAD51 Q06609 1/20 0.35
CYP19A1 P11511 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL8016102 0.86 MAOB (0.47) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL8026433 0.79 MAOB (0.37) MAPTMEN1KMT2AMAOBSAE1
SCHEMBL8016089 0.76 TNKS (0.43) MAPTMAOBCYP19A1SAE1UBA2
SCHEMBL3086161 0.72 MEN1 (0.61) MAPTMEN1KMT2AVCAM1ALPL
SCHEMBL6635455 0.67 KCNJ1 (0.47) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL7703302 0.67 MEN1 (0.82) MAPTMEN1KMT2ACYP11B1CYP11B2
SCHEMBL57257 0.67 VCAM1 (0.61) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL16089350 0.67 VCAM1 (0.61) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL30754405 0.66 EGFR (0.49) MAPTMEN1KMT2AKCNJ1KCNH2
SCHEMBL8126274 0.66 MEN1 (0.40) MAPTMEN1KMT2AVCAM1ALPL

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