SCHEMBL8043602

SCHEMBL8043602

FC(F)(F)c1ccc(-c2nnc(-c3ccccn3)nc2Sc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HTT P42858 3/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PPP1CA P62136 1/20 0.46
HIF1A Q16665 8/20 0.45
KDM4E B2RXH2 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL8043595 0.88 GRM5 (0.51) GRM5CYP1A2CYP2C9CYP2D6LMNA
SCHEMBL8041606 0.83 HIF1A (0.51) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL8043531 0.83 METAP1 (0.49) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL8032107 0.83 HIF1A (0.45) GRM5LMNAHTTSMN1; SMN2HIF1A
SCHEMBL8043558 0.81 TRPV1 (0.46) GRM5CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL8045505 0.81 HIF1A (0.45) GRM5LMNAHTTSMN1; SMN2HIF1A
SCHEMBL8043609 0.80 HIF1A (0.47) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL8042355 0.80 HIF1A (0.47) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL8032055 0.79 SMN1; SMN2 (0.48) GRM5LMNANPSR1HTTSMN1; SMN2
SCHEMBL8043507 0.78 NPC1 (0.43) GRM5LMNAMAPTHTTSMN1; SMN2

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-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed