SCHEMBL8104472

SCHEMBL8104472

Bc1ccc(-n2cccn2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
PDK2 Q15119 1/20 0.43
KAT6A Q92794 2/20 0.42
CHRM1 P11229 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.39
TNIK Q9UKE5 3/20 0.38
NLRP3 Q96P20 2/20 0.37

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
SCHEMBL3103821 0.85 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL18725354 0.84 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL1353718 0.81 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL7027881 0.81 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL7027887 0.81 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1PDK2
Hydrochloric Acid SCHEMBL17389322 0.79 NOTUM (0.47) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL8202120 0.77 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL15057189 0.77 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL15720883 0.77 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL23667424 0.77 CHRM1 (0.47) NOTUMKDM4EALDH1A1MAPK1PDK2

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed