SCHEMBL8316695

SCHEMBL8316695

CCCc1nnc2n1-c1ccccc1NC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.39
HSD17B10 Q99714 1/20 0.35
HSD17B3 P37058 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR8 Q9NR97 2/20 0.33
AKT1 P31749 2/20 0.32
HCAR1 Q9BXC0 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL8313986 0.88 BRD4 (0.48) BRD4BRPF1
SCHEMBL11403505 0.81 BRD4 (0.34) BRD4HSD17B10SMN1; SMN2TLR8KMT2A
SCHEMBL11401281 0.81 CA12 (0.36) BRD4HSD17B10SMN1; SMN2TLR8HCAR1
SCHEMBL8311751 0.77 BRD4 (0.72) BRD4BRPF1HSD17B3MEN1GAA
SCHEMBL11397278 0.70 GABRA1 (0.36) SMN1; SMN2TLR8
SCHEMBL11397160 0.70 TLR8 (0.46) BRD4SMN1; SMN2TLR8OPRK1
SCHEMBL11396744 0.69 CYP11B2 (0.38) BRD4SMN1; SMN2
SCHEMBL11402690 0.67 HPGD (0.43) BRD4HSD17B10SMN1; SMN2TLR8OPRK1
SCHEMBL14996184 0.67 AVPR1A (0.46) SMN1; SMN2
SCHEMBL11777437 0.66 SMN1; SMN2 (0.51) HSD17B10SMN1; SMN2TLR8MEN1KMT2A

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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed