SCHEMBL8489798

SCHEMBL8489798

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NC(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ABL1 P00519 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DGAT1 O75907 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 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
SCHEMBL8490244 0.92 POLB (0.46) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL8489184 0.90 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL8489929 0.90 MAPT (0.51) KDM4EALDH1A1HSD17B10LCKMAPK14
SCHEMBL8492043 0.83 POLB (0.44) KDM4EALDH1A1TDP1L3MBTL1LMNA
SCHEMBL8487107 0.81 TYK2 (0.42) LCKMAPK14MEN1KMT2ALMNA
SCHEMBL8490225 0.81 TYK2 (0.41) LCKMAPK14TDP1MEN1KMT2A
SCHEMBL6537770 0.80 TYK2 (0.43) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL8486665 0.80 TYK2 (0.41) LCKMAPK14MEN1KMT2ALMNA
SCHEMBL8486950 0.80 KMT2A (0.48) KDM4EALDH1A1TRPV1MEN1KMT2A
SCHEMBL8490099 0.79 MEN1 (0.46) KDM4EHSD17B10MEN1GAAKMT2A

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-1999021835-A1 QUINOLINE DERIVATIVES AS H+-ATPase INHIBITORS AND AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed