SCHEMBL19983777

SCHEMBL19983777

CNCc1cn(Sc2cccc(OC(F)(F)F)c2)c2cc(Nc3ccc(OC)cc3F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
FBP1 P09467 4/20 0.34
MAPK14 Q16539 3/20 0.33
GALR2 O43603 2/20 0.32
CHRM5 P08912 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
GALR1 P47211 1/20 0.31
P2RX7 Q99572 3/20 0.31
GAK O14976 1/20 0.31
TRPA1 O75762 1/20 0.31
PIM1 P11309 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
SCHEMBL19984027 0.94 MAPK14 (0.37) FBP1MAPK14GAK
SCHEMBL19983885 0.91 FBP1 (0.39) ADRB2FBP1MAPK14GALR2NPC1
SCHEMBL19984022 0.89 AKR1C3 (0.38) ADRB2MAPK14GAK
SCHEMBL19983907 0.88 FPR1 (0.36) FBP1MAPK14
SCHEMBL19984007 0.86 MAT2A (0.34) NPC1RAB9AP2RX7TRPA1
SCHEMBL19984182 0.86 P2RX7 (0.31) P2RX7
SCHEMBL19984154 0.84 P2RX7 (0.34) P2RX7
SCHEMBL19983791 0.84 KDR (0.33) ADRB2P2RX7GAK
SCHEMBL19983775 0.84 EGFR (0.34) FBP1P2RX7
SCHEMBL19983844 0.84 ALDH1A1 (0.35) FBP1MAPK14

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