SCHEMBL8312922

SCHEMBL8312922

COCCCn1c(O)nc2ccc(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
CDK9 P50750 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
ACSS2 Q9NR19 1/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
CXCR5 P32302 1/20 0.39
OPRM1 P35372 1/20 0.39
APLNR P35414 1/20 0.39
OPRD1 P41143 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL8314180 0.85 APOBEC3G (0.41) CDK9DYRK1ADYRK2RAB9ATP53
SCHEMBL8316328 0.83 TLR8 (0.49) TLR8CDK9DYRK1ADYRK2RAB9A
SCHEMBL8310888 0.82 CNR2 (0.42) CDK9DYRK1ADYRK2SMN1; SMN2LMNA
SCHEMBL8313701 0.81 TSHR (0.54) TLR8RAB9ASMN1; SMN2TP53MAPT
SCHEMBL23638274 0.72 TLR8 (0.43) TLR8RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL8313855 0.70 APOBEC3G (0.43) CDK9DYRK1ADYRK2RAB9ASMN1; SMN2
SCHEMBL13434139 0.69 NPC1 (0.48) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL91363 0.69 KMO (0.58) MAPTLMNAKMT2AMEN1
SCHEMBL91358 0.68 HTR2A (0.51)
SCHEMBL8317752 0.68 ADORA2A (0.39) TLR8CDK9DYRK1ADYRK2RAB9A

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 3 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
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed