SCHEMBL19983740

SCHEMBL19983740

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc(Cl)cc3C#N)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOA P21397 1/20 0.35
SRC P12931 1/20 0.35
MAP3K8 P41279 6/20 0.33
MAPK13 O15264 1/20 0.33
EIF2AK2 P19525 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
EGFR P00533 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
LRRK2 Q5S007 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
IMPDH2 P12268 1/20 0.31
MAT2A P31153 2/20 0.31

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
SCHEMBL19983733 0.90 SLC6A2 (0.37) CYP11B1CYP11B2MAOASRCMAPT
SCHEMBL19984127 0.88 NUDT1 (0.36) CYP11B1CYP11B2MAOAMAP3K8EGFR
SCHEMBL19983850 0.87 LRRK2 (0.40) SRCMAP3K8LRRK2SLC6A4
SCHEMBL19983727 0.85 ABL1 (0.36) KDM4EALDH1A1LMNAMAPTSLC6A2
SCHEMBL19983883 0.84 HTR2C (0.32) EGFRSLC6A2SLC6A4
SCHEMBL19984171 0.83 POLB (0.37) MAPK14EGFRKDM4EALDH1A1SLC6A2
SCHEMBL19984087 0.83 SLC6A2 (0.34) MAP3K8MAPK13EIF2AK2MAPK12MAPK11
SCHEMBL19984177 0.81 HTR2C (0.39) ALDH1A1
SCHEMBL19983721 0.81 HTR2C (0.32) MAPT
SCHEMBL16626425 0.80 HTR6 (0.39) CYP11B1CYP11B2MAOASRCMAP3K8

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