SCHEMBL31376140

SCHEMBL31376140

OCCc1nccn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.50
NOTUM Q6P988 1/20 0.40
GRM5 P41594 6/20 0.39
KCNH2 Q12809 4/20 0.39
HCAR1 Q9BXC0 1/20 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
SCHEMBL28240610 0.78 KCNH2 (0.38) TLR8NOTUMGRM5KCNH2HCAR1
SCHEMBL4959137 0.77 LMNA (0.38) TLR8GRM5KCNH2HCAR1
SCHEMBL8047156 0.73 HCAR1 (0.42) TLR8NOTUMKCNH2HCAR1
SCHEMBL1646450 0.71 KCNH2 (0.44) TLR8KCNH2
SCHEMBL10691177 0.71 KCNH2 (0.36) NOTUMGRM5KCNH2HCAR1
SCHEMBL7979735 0.71 CYP1A2 (0.47) KCNH2
SCHEMBL28197166 0.71 CYP2D6 (0.43) TLR8KCNH2HCAR1
SCHEMBL28497937 0.70 TLR8 (0.66) TLR8NOTUM
SCHEMBL22290195 0.69 KCNH2 (0.40) NOTUMKCNH2
Hydrochloric Acid SCHEMBL11260141 0.69 KCNH2 (0.39) NOTUMGRM5KCNH2HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143677-A Preparation method of fenticonazole or nitrate thereof 浙江东亚药业股份有限公司 2024-12-17 CN disclosed