SCHEMBL29440752

SCHEMBL29440752

CCOC(=O)c1cnc2c(Br)cncc2c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22734634 1.00 KMT2A (0.43) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL22734646 0.85 KMT2A (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29440746 0.85 KMT2A (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3061001 0.83 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL19783662 0.83 THRB (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL15054185 0.80 KMT2A (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL15054234 0.78 KMT2A (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10193529 0.78 KMT2A (0.41) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL867159 0.78 PDE5A (0.44) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL730189 0.77 MAPK1 (0.46) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206860-B Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2025-02-18 CN disclosed
EP-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 EP disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 WO disclosed
EP-3980414-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES Elanco Tiergesundheit AG (CH) 2022-04-13 EP disclosed
CN-114206860-A Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2022-03-18 CN disclosed