SCHEMBL8043558

SCHEMBL8043558

O=C(O)CSc1nc(-c2ccccn2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
STK17B O94768 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.43
F12 P00748 1/20 0.43
HIF1A Q16665 8/20 0.42
GRM5 P41594 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL8049599 0.86 CYP1A2 (0.57) TRPV1TDP1SMN1; SMN2KDM4ELMNA
SCHEMBL8043531 0.85 METAP1 (0.49) HIF1AGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL8041606 0.85 HIF1A (0.51) HIF1AGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL8045505 0.85 HIF1A (0.45) TRPV1F2F12HIF1AGRM5
SCHEMBL8032107 0.85 HIF1A (0.45) TRPV1HIF1AGRM5SMN1; SMN2KDM4E
SCHEMBL8045497 0.82 TRPV1 (0.44) TRPV1F2F12HIF1AGRM5
SCHEMBL8043609 0.82 HIF1A (0.47) TRPV1F2F12HIF1AGRM5
SCHEMBL8042355 0.82 HIF1A (0.47) HIF1AGRM5SMN1; SMN2KDM4ELMNA
SCHEMBL8043602 0.81 GRM5 (0.54) TRPV1HIF1AGRM5SMN1; SMN2KDM4E
SCHEMBL8043550 0.81 CYP1A2 (0.49) TRPV1F2F12HIF1ASMN1; 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