SCHEMBL19635447

SCHEMBL19635447

OCc1[nH]nc(CCOC2CCCCO2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL19635179 0.89 KDM4C (0.34) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL19635446 0.76 ADORA3 (0.37) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL20524326 0.75 KDM4C (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL19615379 0.73 KDM4C (0.39) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL15701737 0.69 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL5429878 0.69 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL29749639 0.68 NPC1 (0.50) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL28796337 0.68 NPC1 (0.50) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL24669516 0.68 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21436952 0.68 MEN1 (0.47) KDM4CL3MBTL1NPC1RAB9AMEN1

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-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed