SCHEMBL21397282

SCHEMBL21397282

COc1ccc(N2CCC(NC(=N)Nc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.46
RAB9A P51151 3/20 0.46
NR4A1 P22736 1/20 0.46
MCL1 Q07820 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FPR1 P21462 2/20 0.45
FPR2 P25090 2/20 0.45
EPHX2 P34913 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL21397172 0.83 MAPT (0.55) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL21397268 0.83 FPR1 (0.45) FPR1FPR2
SCHEMBL21187199 0.81 FPR1 (0.47) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL13584154 0.74 MEN1 (0.55) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL21187141 0.73 FPR1 (0.52) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13234932 0.73 MAPT (1.00) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL13234947 0.73 MAPT (1.00) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL17557716 0.73 MAPT (0.62) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL28432321 0.73 MAPT (0.64) MAPTKMT2AMEN1LMNAMAPK1
Hydrochloric Acid SCHEMBL13584870 0.72 MEN1 (0.54) MAPTKMT2AMEN1LMNAMAPK1

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed