SCHEMBL19635530

SCHEMBL19635530

CCOC(=O)c1[nH]nc(CC(F)(F)F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PDE4D Q08499 1/20 0.40
DUSP3 P51452 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
AURKA O14965 1/20 0.34
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
CDC25B P30305 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL19635175 0.82 MAPT (0.46) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL19634910 0.82 MAPT (0.46) MAPTKDM4EHSD17B10KMT2APDE4D
SCHEMBL14487734 0.79 KDM4E (0.48) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL19635473 0.79 MAPT (0.44) MAPTKDM4EHSD17B10PDE4DDUSP3
SCHEMBL19635441 0.79 MAPT (0.44) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL19635172 0.79 MAPT (0.44) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL15289919 0.78 MAPT (0.43) MAPTKDM4EHSD17B10KMT2APDE4D
SCHEMBL19635469 0.78 MAPT (0.43) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL26103568 0.77 MAPT (0.47) MAPTKDM4EHSD17B10KMT2APOLB
SCHEMBL19634953 0.77 MAPT (0.42) MAPTKDM4EHSD17B10KMT2APOLB

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