SCHEMBL9607067

SCHEMBL9607067

CCC(=O)c1ccc(-c2ccc(F)cc2F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
KMO O15229 2/20 0.45
NPC1 O15118 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALPL P05186 3/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 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
SCHEMBL4388622 0.82 P4HA1 (0.58) DHODHKMONPC1RXFP1ALPL
SCHEMBL3501871 0.75 DHODH (0.44) DHODHKMONPC1RXFP1ALPL
SCHEMBL30540118 0.75 KMO (0.47) DHODHKMONPC1ALPLRAB9A
SCHEMBL19248543 0.75 KMO (0.47) DHODHKMONPC1ALPLRAB9A
SCHEMBL15060602 0.75 GRM2 (0.47) DHODHKMONPC1ALPLRAB9A
SCHEMBL3500766 0.74 NPC1 (0.58) NPC1RXFP1MAPTRAB9AHPGDS
SCHEMBL5934119 0.73 DHODH (0.51) DHODHNPC1MAPTRAB9AMEN1
SCHEMBL8515855 0.72 SMN1; SMN2 (0.55) DHODHKMONPC1MAPTRAB9A
SCHEMBL23319259 0.72 KMO (0.46) DHODHKMOALPLALOX5APFEN1
SCHEMBL15574132 0.72 DHODH (0.55) DHODHKMOALPLALDH1A1HPGD

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed