SCHEMBL3395956

SCHEMBL3395956

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
ALPL P05186 1/20 0.41
KCNH2 Q12809 5/20 0.41
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.36
EIF4E P06730 2/20 0.36
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPK1 P28482 1/20 0.35
LRRK2 Q5S007 2/20 0.33
PKM P14618 1/20 0.33
CDC7 O00311 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL3393634 0.86 KCNH2 (0.39) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL3392940 0.85 LMNA (0.41) MAPTKMT2AMEN1KCNH2LMNA
SCHEMBL3394274 0.85 KCNH2 (0.43) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL3392062 0.82 KCNH2 (0.54) KCNH2LRRK2TGFBR1
SCHEMBL3432960 0.81 KCNH2 (0.43) KCNH2LRRK2
Hydrochloric Acid SCHEMBL3432843 0.81 KCNH2 (0.42) KCNH2LRRK2
SCHEMBL3395952 0.80 KCNH2 (0.56) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL3434686 0.79 KCNH2 (0.44) KCNH2ALDH1A1MAPK1LRRK2
SCHEMBL3396008 0.79 TNIK (0.43) KCNH2
SCHEMBL3426389 0.79 KCNH2 (0.43) KMT2AMEN1RAB9ANPC1KCNH2

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed