SCHEMBL4597356

SCHEMBL4597356

Cc1ccc2c(c1)nc(C)n2S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
NQO2 P16083 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR8 Q9NR97 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACSS2 Q9NR19 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
FGFR1 P11362 1/20 0.39
RAD52 P43351 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL1104855 0.78 RAB9A (0.59) CYP1A2KDM4EHSD17B10NPC1RAB9A
SCHEMBL3162203 0.76 TLR8 (0.44) NLRP3NQO2CYP1A2KDM4EHSD17B10
SCHEMBL10980166 0.76 NLRP3 (0.42) NLRP3NQO2CYP1A2KDM4EHSD17B10
SCHEMBL13052930 0.76 PIK3CD (0.48) NLRP3NQO2CYP1A2KDM4EHSD17B10
SCHEMBL374825 0.75 HTT (0.55) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL15345130 0.73 HSD17B10 (0.42) NLRP3NQO2CYP1A2KDM4EHSD17B10
SCHEMBL10986633 0.73 ALDH1A1 (0.57) KDM4EHSD17B10NPC1ALDH1A1
SCHEMBL10989096 0.73 KDM4E (0.68) NLRP3CYP1A2KDM4ETLR8NPC1
SCHEMBL13043873 0.72 NLRP3 (0.50) NLRP3CYP1A2KDM4EHSD17B10TLR8
SCHEMBL828724 0.71 NLRP3 (0.45) NLRP3NQO2CYP1A2KDM4EHSD17B10

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
US-7455961-B2 Copolymer and photothermographic material containing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-11-25 US disclosed
US-20080085482-A1 COPOLYMER AND PHOTOTHERMOGRAPHIC MATERIAL CONTAINING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-04-10 US disclosed
EP-1909139-A1 Copolymer and photothermographic material containing the same Konica Minolta Medical & Graphic, Inc. (JP) 2008-04-09 EP disclosed