SCHEMBL19983791

SCHEMBL19983791

CNCc1cn(Sc2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(OC(F)(F)F)cc3OC)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
P2RX7 Q99572 3/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
GAK O14976 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ADRB2 P07550 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
APP P05067 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
SCHEMBL19984203 0.87 ABL1 (0.35) KDRP2RX7MAPT
SCHEMBL19984022 0.86 AKR1C3 (0.38) KDRAKR1C3AKR1C2GAKGAA
SCHEMBL19983777 0.84 ADRB2 (0.37) P2RX7GAKADRB2
SCHEMBL19983885 0.83 FBP1 (0.39) KDRP2RX7GAKADRB2HTR2A
SCHEMBL16626746 0.82 RORC (0.41) CNR2CNR1GAAMAPT
Hydrochloric Acid SCHEMBL16618727 0.81 RORC (0.41) CNR2CNR1GAAMAPT
SCHEMBL19984021 0.81 GAK (0.40) KDRAKR1C3AKR1C2GAKHTR2A
SCHEMBL19983946 0.81 SLC6A4 (0.38) HTR2ASLC6A4KCNH2
SCHEMBL19984182 0.80 P2RX7 (0.31) P2RX7
SCHEMBL19984029 0.80 APP (0.35) AKR1C3AKR1C2MAPTTEAD4TEAD2

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