SCHEMBL19984208

SCHEMBL19984208

CNCc1cn(Sc2cccnc2)c2cc(Cc3ccc(Cl)cc3F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.34
SLC6A2 P23975 8/20 0.34
KCNH2 Q12809 4/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
MAOA P21397 1/20 0.33
MAT2A P31153 3/20 0.32
HTR2A P28223 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR2C P28335 1/20 0.31
GPR52 Q9Y2T5 1/20 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
SCHEMBL19984031 0.88 ALDH1A1 (0.38) CYP11B2CYP11B1ALDH1A1
SCHEMBL19983812 0.85 CYP11B1 (0.38) CYP11B2CYP11B1MAT2AALDH1A1
SCHEMBL19984127 0.84 NUDT1 (0.36) SLC6A4SLC6A2KCNH2CYP11B2CYP11B1
SCHEMBL16626650 0.79 SLC6A4 (0.33) SLC6A4SLC6A2KCNH2CYP11B2CYP11B1
SCHEMBL17971578 0.79 HTR6 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL19983727 0.79 ABL1 (0.36) SLC6A4SLC6A2ALDH1A1LMNAHTR2C
SCHEMBL19983733 0.79 SLC6A2 (0.37) SLC6A4SLC6A2CYP11B2CYP11B1MAOA
Hydrochloric Acid SCHEMBL16618903 0.78 HTR6 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL19983848 0.77 MAP3K8 (0.32) HTR2C
SCHEMBL19983804 0.77 EPHX2 (0.37)

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