SCHEMBL9564347

SCHEMBL9564347

CCC(N)c1cccc2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
F2 P00734 2/20 0.36
SLC13A5 Q86YT5 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CXCR4 P61073 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRMT5 O14744 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
SCHEMBL6047411 0.81 SRC (0.41) SRCF2SLC13A5ADORA2AADORA1
SCHEMBL9910075 0.79 SRC (0.49) SRCF2SLC13A5ADORA2AADORA1
SCHEMBL10911476 0.75 SRC (0.56) SRCALDH1A1GAA
SCHEMBL9564323 0.75 NPC1 (0.40) LMNAMAPT
SCHEMBL31310576 0.72 SRC (0.49) SRCF2SLC13A5ADORA2AADORA1
SCHEMBL9358469 0.72 SRC (0.49) SRCF2SLC13A5ADORA2AADORA1
SCHEMBL9910070 0.72 GABRA1 (0.43) SRCLMNAMAPTTAAR1
SCHEMBL10911692 0.70 SRC (0.43) SRCF2SLC13A5ADORA2AADORA1
SCHEMBL20879377 0.70 CYSLTR2 (0.35) SRC
SCHEMBL342322 0.70 SRC (0.49) SRCF2SLC13A5KDM4EALDH1A1

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
EP-0555183-A1 Pesticides CIBA-GEIGY AG (CH) 1993-08-11 EP disclosed