SCHEMBL28827465

SCHEMBL28827465

CCOC(=O)c1cc(Br)nn1-c1ncccc1N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.38
JMJD6 Q6NYC1 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
ELANE P08246 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 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
SCHEMBL23032142 0.88 ALDH1A1 (0.48) ALDH1A1HPGDNPC1TP53RAB9A
SCHEMBL29372796 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AHSD11B1KDM4E
SCHEMBL1762554 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AHSD11B1KDM4E
SCHEMBL28827450 0.82 PKM (0.49) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13483399 0.77 ALDH1A1 (0.47) ALDH1A1HPGDNPC1TP53RAB9A
SCHEMBL6415151 0.76 LMNA (0.56) ALDH1A1HSD17B10HPGDTP53KDM4E
SCHEMBL6070100 0.76 KDM4E (0.62) ALDH1A1HSD17B10HPGDNPC1TP53
SCHEMBL951462 0.74 SMN1; SMN2 (0.52) ALDH1A1HPGDNPC1RAB9AHSD11B1
SCHEMBL29558577 0.74 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AHSD11B1KDM4E
SCHEMBL25008712 0.74 ALDH1A1 (0.48) ALDH1A1HPGDNPC1TP53RAB9A

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-114957214-A Preparation method of chlorantraniliprole intermediate 九江善水科技股份有限公司 2022-08-30 CN disclosed
CN-114957214-A Preparation method of chlorantraniliprole intermediate 九江善水科技股份有限公司 2022-08-30 CN disclosed