SCHEMBL19984306

SCHEMBL19984306

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc(C)cc3Cl)cnc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.35
NAMPT P43490 1/20 0.33
DHODH Q02127 3/20 0.31
ATM Q13315 2/20 0.31
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL19984305 0.85 ALDH1A1 (0.41) SLC6A4
SCHEMBL16626778 0.80 NAMPT (0.39) LCKNAMPTDHODHATMNPC1
SCHEMBL19984171 0.79 POLB (0.37) NAMPTKDM4ESLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16618946 0.79 NAMPT (0.39) LCKNAMPTDHODHATMNPC1
SCHEMBL19983733 0.79 SLC6A2 (0.37) NAMPTSLC6A2SLC6A4
SCHEMBL19983883 0.77 HTR2C (0.32) SLC6A2SLC6A4
SCHEMBL19983850 0.76 LRRK2 (0.40) SLC6A4SLC6A3
SCHEMBL19983736 0.74 MAPT (0.38) ATMKDM4EGAA
SCHEMBL19983957 0.74 SLC6A4 (0.37) SLC6A4
SCHEMBL19984135 0.74 BCL6 (0.40) KDM4E

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed