SCHEMBL19984236

SCHEMBL19984236

CNCc1cn(Sc2cccnc2)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.46
HTR2A P28223 11/20 0.46
KCNH2 Q12809 11/20 0.46
MRGPRX4 Q96LA9 1/20 0.38
SLC6A2 P23975 3/20 0.38
FFAR1 O14842 2/20 0.34
SLC6A3 Q01959 2/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33

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
SCHEMBL16626656 0.82 SLC6A4 (0.46) SLC6A4HTR2AKCNH2MRGPRX4SLC6A2
Hydrochloric Acid SCHEMBL16619083 0.81 SLC6A4 (0.45) SLC6A4HTR2AKCNH2MRGPRX4SLC6A2
SCHEMBL19984295 0.77 ALDH1A1 (0.36) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19983743 0.74 SRC (0.40) SLC6A4SLC6A2
SCHEMBL19983981 0.74 CNR2 (0.34)
SCHEMBL19983812 0.73 CYP11B1 (0.38)
SCHEMBL19983883 0.73 HTR2C (0.32) SLC6A4SLC6A2EGFR
SCHEMBL19984087 0.73 SLC6A2 (0.34) SLC6A4SLC6A2EGFR
SCHEMBL19984203 0.72 ABL1 (0.35)
SCHEMBL19983856 0.72 GRM4 (0.34)

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