SCHEMBL19635391

SCHEMBL19635391

CSN1CCN(c2ccc(OCc3nn(C)c(CO)c3Br)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
TSHR P16473 4/20 0.34
LMNA P02545 4/20 0.34
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
IGF1R P08069 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
RGS12 O14924 1/20 0.32
USP2 O75604 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL19635460 0.86 MRGPRX4 (0.42) MAPTLMNAMAPK1SMN1; SMN2GAA
SCHEMBL21802247 0.84 MAPT (0.44) MAPTTSHRLMNAMAPK1SMN1; SMN2
SCHEMBL19615270 0.83 MEN1 (0.45) MAPTTSHRMAPK1SMN1; SMN2GAA
SCHEMBL19615367 0.81 MEN1 (0.44) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL19635047 0.80 SMN1; SMN2 (0.47) MAPTTSHRLMNASMN1; SMN2NPSR1
SCHEMBL24378074 0.80 MAPT (0.39) MAPTTSHRLMNAMAPK1SMN1; SMN2
SCHEMBL19615129 0.76 NPC1 (0.38) MAPTSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL19634874 0.73 HRH3 (0.43) MAPTTSHRLMNAMAPK1SMN1; SMN2
SCHEMBL19615980 0.73 PTGS2 (0.36)
SCHEMBL21802224 0.73 MCL1 (0.45) MAPTTSHRLMNAMAPK1SMN1; SMN2

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