SCHEMBL4430486

SCHEMBL4430486

Nc1ccc(Nc2cccc(C(F)(F)F)c2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MPO P05164 3/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KIF11 P52732 1/20 0.38
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
PTK6 Q13882 1/20 0.38

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
SCHEMBL11042774 0.85 MAPT (0.38) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10770891 0.84 ALDH1A1 (0.47) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3976376 0.82 NPY1R (0.39) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9007807 0.80 KIF11 (0.35) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9712153 0.77 GRK6 (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10910338 0.77 GRK6 (0.37) ALDH1A1MAPTADORA2AMEN1KMT2A
SCHEMBL6535406 0.76 NPSR1 (0.38) ALDH1A1MAPTADORA2AMEN1KMT2A
SCHEMBL10706750 0.75 EGFR (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3974160 0.75 ALDH1A1 (0.39) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6710956 0.75 ALDH1A1 (0.37) GAAALDH1A1MAPTSMN1; SMN2KDM4E

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
EP-2117848-A1 LASER-SENSITIVE RECORDING MATERIALS HAVING AN UNDERCOATING LAYER BASF SE (DE) 2009-11-18 EP disclosed
WO-2008107345-A1 LASER-SENSITIVE RECORDING MATERIALS HAVING AN UNDERCOATING LAYER BASF SE (CH) 2008-09-12 WO disclosed