SCHEMBL11086008

SCHEMBL11086008

Cc1cc(C)nc(CCOc2ccc(N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
NOS3 P29474 2/20 0.40

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
SCHEMBL1645709 0.82 DRD4 (0.44) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL11079217 0.80 RAB9A (0.50) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL11085316 0.80 KCNH2 (0.50) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL942231 0.80 ALDH1A1 (0.47) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL944187 0.77 ALDH1A1 (0.57) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL1645707 0.75 TDP1 (0.50) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL2231028 0.75 NOS2 (0.55) NOS1NOS2NOS3
SCHEMBL10504713 0.75 SMN1; SMN2 (0.52) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL1645711 0.74 KCNH2 (0.42) KCNH2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL11082778 0.74 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTTSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443246-A Herbicidal pyridyl-ethoxy-phenyl urea derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-17 US disclosed
EP-0067718-A1 Urea derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-22 EP disclosed