SCHEMBL29643272

SCHEMBL29643272

CCOC(=O)c1cnc2c(Br)cccc2c1N(C)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL20702366 0.86 KMT2A (0.47) KMT2AMEN1NPC1RAB9AATM
SCHEMBL20138823 0.78 KMT2A (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL20154246 0.78 PDE4B (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30071172 0.78 PDE4B (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3061001 0.77 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6293263 0.76 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL437697 0.76 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL20714623 0.76 MMP1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30071070 0.75 KMT2A (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL20154238 0.75 KMT2A (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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