SCHEMBL18106973

SCHEMBL18106973

N#Cc1ccc(NC(=O)ON2CCc3[nH]c4ncc(Cl)cc4c3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39
LIMK2 P53671 1/20 0.39
RORC P51449 1/20 0.38
IDO1 P14902 2/20 0.38
CFTR P13569 1/20 0.37
CHEK1 O14757 1/20 0.36
ABL1 P00519 1/20 0.36
MET P08581 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
LTK P29376 1/20 0.36
MAPK8 P45983 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
SCHEMBL18106968 0.91 MAPT (0.47) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18106979 0.86 TRPV1 (0.42) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18106978 0.84 BAZ2B (0.40) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10139868 0.84 MEN1 (0.56) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18106972 0.81 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18106977 0.81 LIMK2 (0.43) MAPTMEN1KMT2ALIMK2BAZ2B
SCHEMBL10139841 0.79 CFTR (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18106981 0.78 MAPT (0.57) MAPTMEN1KMT2ABAZ2BTSHR
Hydrochloric Acid SCHEMBL409052 0.78 CFTR (0.51) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL406672 0.75 MAPT (0.62) MAPTKMT2ACYP3A4CFTRCDK9

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
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed