SCHEMBL8042391

SCHEMBL8042391

Clc1ccc(-c2nnc(-c3cccnc3)nc2NCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.63
HIF1A Q16665 4/20 0.63
CLK4 Q9HAZ1 4/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 3/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
GBA1 P04062 1/20 0.58
TP53 P04637 1/20 0.58
PTGS1 P23219 1/20 0.58
TBXAS1 P24557 1/20 0.58
PTGS2 P35354 1/20 0.58

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
SCHEMBL8042396 0.87 SMN1; SMN2 (0.59) PDE5AHIF1AALDH1A1KMT2AMEN1
SCHEMBL8042386 0.81 HIF1A (0.84) HIF1ALMNASMN1; SMN2
SCHEMBL432876 0.77 PDE5A (1.00) PDE5AHIF1ACLK4ALDH1A1CYP1A2
SCHEMBL30085696 0.76 CLK4 (0.58) PDE5AHIF1ACLK4ALDH1A1CYP1A2
SCHEMBL30085548 0.75 CLK4 (0.60) PDE5ACLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL14262933 0.74 CYP1A2 (0.84) PDE5AHIF1ACLK4ALDH1A1CYP1A2
SCHEMBL7286130 0.73 PDE5A (1.00) PDE5AHIF1ACLK4ALDH1A1CYP1A2
SCHEMBL13381616 0.73 SMN1; SMN2 (0.73) HIF1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL29546979 0.71 HIF1A (1.00) HIF1ALMNASMN1; SMN2
SCHEMBL19911080 0.71 HIF1A (1.00) HIF1ALMNASMN1; 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