SCHEMBL22760342

SCHEMBL22760342

CCOC(=O)c1c(N2CCCCC2)c2c(Cl)c(F)ccc2n1-c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 2/20 0.38
THRB P10828 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35

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
SCHEMBL22760215 0.94 HPGD (0.51) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22747825 0.93 HPGD (0.45) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22747885 0.92 HPGD (0.45) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760232 0.91 HPGD (0.44) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22747893 0.91 MAPK1 (0.39) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760115 0.91 MAPT (0.46) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760112 0.88 NOTUM (0.37) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760185 0.85 HPGD (0.43) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760149 0.84 LMNA (0.41) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL22760338 0.84 HPGD (0.42) HPGDMEN1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed