SCHEMBL3393481

SCHEMBL3393481

COc1ccc(-c2cc(N(C)c3nncc(-c4ccc(C#N)cc4C)n3)n[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
OXTR P30559 4/20 0.36
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CYP11B1 P15538 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
SCHEMBL3397454 0.80 OXTR (0.31) OXTRS1PR1
SCHEMBL3393484 0.79 ACP1 (0.39) MAPTRAB9AMAPK1NPC1DYRK1A
SCHEMBL3433177 0.74 KCNH2 (0.36) RAB9AOXTRLRRK2CYP11B1CYP11B2
SCHEMBL3395600 0.73 L3MBTL1 (0.35) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL3395407 0.72 KCNH2 (0.40) OXTRLRRK2CASP1CASP7HSD17B10
SCHEMBL3392275 0.72 KCNH2 (0.46) OXTRLRRK2DRD1MEN1KMT2A
SCHEMBL3398420 0.71 KCNH2 (0.42) RAB9ANPC1OXTRLRRK2CYP1A1
SCHEMBL3397552 0.71 KCNH2 (0.43) RAB9ALRRK2KDM4EALDH1A1L3MBTL1
SCHEMBL3399143 0.70 KCNH2 (0.41) RAB9ANPC1OXTRLRRK2CYP1A1
SCHEMBL3432960 0.69 KCNH2 (0.43) LRRK2CYP11B1CYP11B2DRD1TNIK

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