SCHEMBL7215976

SCHEMBL7215976

Cc1c(-n2ccnc2NCc2ccc(F)cc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 3/20 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
SCHEMBL7222405 0.89 SMN1; SMN2 (0.46) KDM4ETP53KMT2AMAPTOPRD1
SCHEMBL7217985 0.80 ATP1A1 (0.48) MAPK1KMT2AMEN1OPRD1OPRK1
SCHEMBL7222468 0.80 OPRD1 (0.39) TP53KMT2AMEN1CYP2D6OPRD1
SCHEMBL7222112 0.77 MAPK9 (0.48) GAAKDM4EALDH1A1TSHRHSD17B10
SCHEMBL7216328 0.77 GPR39 (0.43) TSHRTP53KMT2AMEN1CYP1A2
SCHEMBL7216134 0.69 ATP1A1 (0.48) OPRD1OPRK1
SCHEMBL7221629 0.69 ATP1A1 (0.51) TP53MAPK1KMT2AOPRD1OPRK1
SCHEMBL7215726 0.66 OPRD1 (0.37) TP53KMT2AMEN1LMNAOPRD1
SCHEMBL7215522 0.66 SOS1 (0.37) KMT2AMEN1OPRD1OPRK1POLB
SCHEMBL27932464 0.65 GAA (0.51) GAAKDM4EALDH1A1TSHRHSD17B10

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed