SCHEMBL8489178

SCHEMBL8489178

Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1NC(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TYK2 P29597 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK14 Q16539 1/20 0.41
JAK2 O60674 2/20 0.41
PTGS2 P35354 1/20 0.41
CYP3A4 P08684 1/20 0.41
JAK1 P23458 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL8486703 0.93 NPSR1 (0.46) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8486950 0.92 KMT2A (0.48) MAPTKMT2AMEN1TYK2SMN1; SMN2
SCHEMBL8489650 0.91 MAPT (0.41) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8490721 0.91 TRPV1 (0.43) KMT2AMEN1LMNANPSR1TYK2
SCHEMBL8487714 0.91 NPSR1 (0.44) MAPTKMT2ANPSR1TYK2SMN1; SMN2
SCHEMBL8486154 0.91 NPC1 (0.47) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8487940 0.90 HTT (0.52) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8489174 0.89 TRPV1 (0.42) LMNANPSR1TYK2POLBJAK2
SCHEMBL8487927 0.89 SMN1; SMN2 (0.48) MAPTNPSR1SMN1; SMN2NPC1POLB
SCHEMBL8486434 0.89 SMN1; SMN2 (0.47) MAPTKMT2AMEN1LMNANPSR1

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