SCHEMBL28070090

SCHEMBL28070090

CC(NC(=O)c1[c]cccc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
NAMPT P43490 2/20 0.44
RIPK1 Q13546 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
SMYD3 Q9H7B4 3/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
IDO1 P14902 3/20 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
SCHEMBL1444015 0.80 ALOX15 (0.41) LMNATDP1
SCHEMBL9478955 0.79 KMT2A (0.36) NPC1RAB9ALMNA
SCHEMBL16294271 0.76 LTA4H (0.47) LMNACA1CA2
SCHEMBL1903196 0.75 KMT2A (0.34) NPC1RAB9A
SCHEMBL8125303 0.75 KMT2A (0.34) NPC1RAB9ALMNA
SCHEMBL3764748 0.74 SSTR4 (0.43) NPC1RAB9ALMNA
SCHEMBL8118163 0.74 ALDH1A1 (0.40) NPC1LMNA
SCHEMBL8131986 0.72 ALDH1A1 (0.42) NPC1RAB9ALMNA
SCHEMBL1990596 0.72 NPC1 (0.49) EPHX2NPC1RAB9ASMYD3LMNA
SCHEMBL8119388 0.72 PGR (0.40) NPC1RAB9A

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
CN-105745201-B 1-aryl-3-alkylpyrazole insecticides FMC公司 2019-08-20 CN disclosed
CN-109890807-A The bicyclic azoles pesticide of heterocyclic substituted FMC 公司 2019-06-14 CN disclosed
CN-105745201-A 1-aryl-3-alkylpyrazole insecticides 纳幕尔杜邦公司 2016-07-06 CN disclosed