SCHEMBL19983889

SCHEMBL19983889

CNCc1cn(Sc2cccc(OC(F)F)c2)c2cc(Nc3ccc(Cl)cc3C(F)(F)F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
P2RX3 P56373 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
SCHEMBL19984271 0.91 HTR2A (0.34) HTR2ASLC6A4KCNH2SMN1; SMN2GAA
SCHEMBL19984154 0.84 P2RX7 (0.34) ALDH1A1
SCHEMBL16626516 0.82 RORC (0.43)
Hydrochloric Acid SCHEMBL16618865 0.81 RORC (0.43)
SCHEMBL19983907 0.81 FPR1 (0.36) HTR2ASLC6A4KCNH2SMN1; SMN2ALDH1A1
SCHEMBL19983937 0.79 MPO (0.37) HTR2ASLC6A4KCNH2ALDH1A1P2RX3
SCHEMBL19984021 0.79 GAK (0.40) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL19983775 0.79 EGFR (0.34)
SCHEMBL19984163 0.78 FADS1 (0.36) HTR2ASLC6A4KCNH2ALDH1A1P2RX3
SCHEMBL19983885 0.78 FBP1 (0.39) HTR2ASLC6A4KCNH2

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