SCHEMBL11211213

SCHEMBL11211213

N#CC(CCc1ccccc1)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CTSC P53634 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ADRB2 P07550 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
ABCB1 P08183 2/20 0.36
MAPT P10636 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL18723421 0.81 SLC6A2 (0.50) L3MBTL1CTSCMAPTSLC6A2SLC6A4
SCHEMBL11873771 0.81 MAPT (0.37) L3MBTL1SMN1; SMN2ADRB2MAPTALDH1A1
SCHEMBL7293203 0.75 CTSC (0.39) CTSCSMN1; SMN2ALDH1A1
Bromide SCHEMBL11785403 0.75 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2ADRB2NPC1RAB9A
SCHEMBL7289345 0.74 CTSC (0.38) CTSCSMN1; SMN2ALDH1A1
SCHEMBL22392990 0.74 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5006472 0.72 CTSC (0.43) CTSCKCNH2CNR2
SCHEMBL11227788 0.72 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL28732795 0.69 MAPT (0.41) L3MBTL1SMN1; SMN2ADRB2MAPTALDH1A1
SCHEMBL1337104 0.69 MAPT (0.44) L3MBTL1SMN1; SMN2ADRB2MAPTCYP3A4

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed