SCHEMBL8304815

SCHEMBL8304815

Cc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
HSD17B2 P37059 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTGS2 P35354 5/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGES O14684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8303453 0.88 HSD17B2 (0.44) NR1H2NR1H3HSD17B2SIGMAR1NPC1
SCHEMBL8304172 0.86 PSEN1 (0.42) NR1H2NR1H3HSD17B2PDE10APTGS2
SCHEMBL8300795 0.86 NR1H2 (0.40) NR1H2NR1H3HSD17B2SIGMAR1NPC1
SCHEMBL8942725 0.86 NR1H2 (0.49) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8300261 0.85 NR1H2 (0.39) NR1H2NR1H3HSD17B2SIGMAR1NPC1
SCHEMBL8298161 0.85 HSD17B2 (0.39) NR1H2NR1H3HSD17B2SIGMAR1NPC1
SCHEMBL5726518 0.84 EIF4E (0.35) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL8942970 0.84 HSD17B2 (0.50) NR1H2NR1H3HSD17B2NPC1RAB9A
SCHEMBL4611925 0.82 PTGES (0.46) NR1H2NR1H3HSD17B2SIGMAR1NPC1
SCHEMBL8942833 0.81 NR1H2 (0.45) NR1H2NR1H3HSD17B2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed