SCHEMBL19983885

SCHEMBL19983885

CNCc1cn(Sc2cccc(OC)c2)c2cc(Nc3ccc(OC(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.39
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 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
ADRB2 P07550 1/20 0.33
P2RX7 Q99572 3/20 0.33
HTR2A P28223 2/20 0.32
KCNH2 Q12809 1/20 0.32
BRAF P15056 1/20 0.32
MAPK14 Q16539 1/20 0.32
GALR2 O43603 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL19983777 0.91 ADRB2 (0.37) FBP1ADRB2P2RX7MAPK14GALR2
SCHEMBL19983775 0.91 EGFR (0.34) FBP1EGFRERBB2ERBB3ERBB4
SCHEMBL19984021 0.90 GAK (0.40) SLC6A4EGFRERBB2ERBB3ERBB4
SCHEMBL19984027 0.85 MAPK14 (0.37) FBP1MAPK14GAK
SCHEMBL19984271 0.85 HTR2A (0.34) FBP1SLC6A4EGFRERBB3HTR2A
SCHEMBL19984182 0.84 P2RX7 (0.31) P2RX7
SCHEMBL19983907 0.84 FPR1 (0.36) FBP1SLC6A4SLC6A2EGFRHTR2A
SCHEMBL19984154 0.83 P2RX7 (0.34) P2RX7
SCHEMBL19983791 0.83 KDR (0.33) SLC6A4EGFRADRB2P2RX7HTR2A
SCHEMBL19983946 0.83 SLC6A4 (0.38) FBP1SLC6A4SLC6A2SLC6A3HTR2A

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