SCHEMBL11544407

SCHEMBL11544407

Cn1nc(NC(=O)c2ccco2)c(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KISS1R Q969F8 3/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL11545713 0.71 MAPK8 (0.43) MAPTCASP1CASP7HSD17B10MEN1
SCHEMBL11543962 0.71 L3MBTL1 (0.37) MAPTHTTALDH1A1HPGDPOLB
SCHEMBL11545895 0.71 MAPK8 (0.40) MAPTCASP1HTTCASP7HSD17B10
SCHEMBL11546629 0.70 KMT2A (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL10821345 0.70 RAB9A (0.51) MAPTHSD17B10MEN1KMT2ARAB9A
SCHEMBL11544700 0.69 LRRK2 (0.50) MAPTHTTMEN1KMT2AMAPK1
SCHEMBL8439074 0.69 ALDH1A1 (0.67) MAPTHTTMEN1KMT2ARAB9A
SCHEMBL11545935 0.69 MAPK8 (0.47) MAPTCASP1HTTCASP7HSD17B10
SCHEMBL1529794 0.67 RAB9A (0.52) HSD17B10RAB9ANPC1POLB
SCHEMBL8440550 0.67 MEN1 (0.55) MAPTHTTHSD17B10MEN1KMT2A

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-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed