SCHEMBL28385140

SCHEMBL28385140

C=C(C(=O)OC)c1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
LMNA P02545 1/20 0.47
LIPE Q05469 4/20 0.45
KCNH2 Q12809 1/20 0.45
P2RX3 P56373 7/20 0.45
VNN1 O95497 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL22407055 0.86 HRH3 (0.54) HRH3LMNALIPEKCNH2P2RX3
SCHEMBL15684885 0.83 LMNA (0.61) HRH3LMNALIPEKCNH2P2RX3
SCHEMBL22407012 0.83 HPGD (0.50) LMNAMEN1NPC1CASP3RAB9A
SCHEMBL13093916 0.80 HRH3 (0.58) HRH3LMNALIPEKCNH2P2RX3
SCHEMBL8664420 0.80 NNMT (0.60) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL7921418 0.79 HRH3 (0.56) HRH3LIPEKCNH2P2RX3OPRM1
SCHEMBL20836079 0.78 LMNA (0.65) HRH3LMNALIPEKCNH2P2RX3
SCHEMBL191087 0.78 HPGD (0.48) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL18053917 0.77 NAPRT (0.53) LMNAPOLBMEN1NPC1RAB9A
SCHEMBL20836099 0.76 LIPE (0.53) HRH3LMNALIPEKCNH2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 CN disclosed