SCHEMBL8317752

SCHEMBL8317752

COCCCn1c2cc(C)ccc2n2c(C)nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ALDH1A1 P00352 2/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
PLK1 P53350 1/20 0.34
ATM Q13315 1/20 0.34
TLR8 Q9NR97 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8311294 0.87 APOBEC3G (0.42) ADORA2AALDH1A1TP53KMT2ACDK9
SCHEMBL8316325 0.85 CNR2 (0.39) ADORA2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8313733 0.85 ALDH1A1 (0.44) ADORA2AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL13434139 0.72 NPC1 (0.48) ADORA2AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL8314234 0.70 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8317607 0.69 GAA (0.45) ALDH1A1TP53MAPTSMN1; SMN2TSHR
SCHEMBL8312922 0.68 TLR8 (0.49) ADORA2ATP53MAPTSMN1; SMN2MEN1
SCHEMBL8316328 0.68 TLR8 (0.49) ALDH1A1TP53MAPTSMN1; SMN2MEN1
SCHEMBL13434021 0.67 MEN1 (0.47) ALDH1A1TP53MAPTSMN1; SMN2MEN1
SCHEMBL10181870 0.65 MAPT (0.75) ALDH1A1TP53MAPTSMN1; SMN2MEN1

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