SCHEMBL19984271

SCHEMBL19984271

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAK O14976 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KDR P35968 1/20 0.31
IDO1 P14902 1/20 0.31
POLB P06746 1/20 0.31
EGFR P00533 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
SCHEMBL19983889 0.91 HTR2A (0.33) HTR2ASLC6A4KCNH2ALDH1A1SMN1; SMN2
SCHEMBL19983907 0.89 FPR1 (0.36) HTR2ASLC6A4KCNH2LMNAALDH1A1
SCHEMBL19984021 0.87 GAK (0.40) HTR2ASLC6A4KCNH2ALDH1A1KDM4E
SCHEMBL19983885 0.85 FBP1 (0.39) HTR2ASLC6A4KCNH2GAKMAPK14
SCHEMBL19984027 0.84 MAPK14 (0.37) GAKMAPK14MEN1KMT2AMAPT
SCHEMBL19983981 0.83 CNR2 (0.34) ALDH1A1KDM4EGAKMAPK14MEN1
SCHEMBL19983777 0.82 ADRB2 (0.37) GAKMAPK14RAB9AFBP1
SCHEMBL19983901 0.82 TSHR (0.35) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL19984025 0.82 MAPK14 (0.32) MAPK14MAPTGAA
SCHEMBL19984022 0.81 AKR1C3 (0.38) ALDH1A1GAKMAPK14MAPTGAA

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