SCHEMBL9027243

SCHEMBL9027243

CCCCCCCCCCCCCc1ccc(-c2nc(-c3ccccc3Cl)nn2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.65
NR1H3 Q13133 3/20 0.46
NR1H2 P55055 2/20 0.46
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PTGES O14684 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL9026732 1.00 HSD11B1 (0.65) HSD11B1NR1H3NR1H2RAB9ANPC1
SCHEMBL9028200 1.00 HSD11B1 (0.65) HSD11B1NR1H3NR1H2RAB9ANPC1
SCHEMBL8876093 0.86 HSD11B1 (0.54) HSD11B1PTGESADORA2AADORA3TLR8
SCHEMBL8875716 0.84 HSD11B1 (0.48) HSD11B1PTGESADORA2AADORA3TLR8
SCHEMBL8874970 0.84 HSD11B1 (0.48) HSD11B1PTGESADORA2AADORA3TLR8
SCHEMBL9026017 0.82 HSD11B1 (0.49) HSD11B1NR1H3NR1H2RAB9ANPC1
SCHEMBL8875928 0.79 HSD11B1 (0.41) HSD11B1NR1H3NR1H2ADORA2AADORA3
SCHEMBL9577157 0.77 HSD11B1 (0.46) HSD11B1NR1H3NR1H2RAB9ANPC1
SCHEMBL27992344 0.77 HSD11B1 (0.68) HSD11B1ADORA2AADORA3KDM4EALDH1A1
SCHEMBL8876361 0.76 CRHR1 (0.44) HSD11B1NR1H3NR1H2PTGESADORA2A

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-0572142-B1 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-07-31 EP disclosed
US-5318959-A A new miticides diaryl alkyl 1,2,4-triazoles KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US disclosed
EP-0572142-A2 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-12-01 EP disclosed