SCHEMBL7411403

SCHEMBL7411403

Cc1ccc(-c2nc3cc(C)ccn3c2C(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.45
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
ALOX5 P09917 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CGAS Q8N884 1/20 0.39

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
SCHEMBL7233487 0.77 EGFR (0.48) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL7411401 0.74 RAB9A (0.47) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL2147079 0.69 ALDH1A1 (0.66) MLKLRAB9AKDM4ETP53SMN1; SMN2
SCHEMBL7086732 0.67 MAPT (0.46) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL13325930 0.66 AKT2 (0.69) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL12056713 0.66 ALOX5 (0.54) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL7241464 0.65 CYP11B1 (0.42) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL13325933 0.64 SMN1; SMN2 (0.60) RAB9AKDM4EMAPTTP53SMN1; SMN2
SCHEMBL8594223 0.64 MLKL (0.50) MLKLRAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL16756243 0.63 ALPL (0.58) MLKLRAB9AKDM4ETP53SMN1; SMN2

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-2002002557-A2 2-PHENYLIMIDAZO[1,2-A]PYRIDINE DERIVATIVES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-10 WO disclosed