SCHEMBL7986104

SCHEMBL7986104

N#Cc1ccc(Oc2nccc(-c3[c]nc(Oc4ccc(O)cc4)nc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP19A1 P11511 2/20 0.36
SCN9A Q15858 4/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL7991980 0.86 MAOB (0.51) KDM4ELMNASMN1; SMN2MAPK14CYP1A2
SCHEMBL7986965 0.80 MAPT (0.41) LMNASMN1; SMN2MAPK14CYP1A2CYP2C9
SCHEMBL7986045 0.76 MEN1 (0.40) MAPK14MAPTL3MBTL1
SCHEMBL7989153 0.74 ALDH1A1 (0.43) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7985834 0.74 MEN1 (0.43) SMN1; SMN2MAPK14MAPTL3MBTL1ALDH1A1
SCHEMBL7974745 0.72 MAPK14 (0.40) MAPK14
SCHEMBL7975567 0.71 MAPK14 (0.49) MAPK14SCN9AMAPTL3MBTL1IKBKB
SCHEMBL7988190 0.68 PDE10A (0.45) MAPK14CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL5619727 0.68 CYP19A1 (0.44) KDM4ELMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4315032 0.68 CA12 (0.73) KDM4ELMNACA12CA2CA3

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-2001042243-A2 PROTEIN KINASE INHIBITORS ADVANCED MEDICINE, INC. (US) 2001-06-14 WO disclosed