SCHEMBL19984065

SCHEMBL19984065

CNCc1cn(Sc2cccc(F)c2)c2cc(Nc3ccc(OC(F)(F)F)cc3OC)cnc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
IDH1 O75874 1/20 0.33
CHRNA7 P36544 1/20 0.33
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
LCK P06239 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK1D P48730 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
SCHEMBL19984281 0.88 SLC6A4 (0.33) LCK
SCHEMBL16626777 0.82 HTR6 (0.40) P2RX7
Hydrochloric Acid SCHEMBL16618870 0.81 HTR6 (0.41) P2RX7
SCHEMBL19983791 0.79 KDR (0.33) P2RX7HCRTR1HCRTR2MAPT
SCHEMBL19984203 0.78 ABL1 (0.35) P2RX7KITMEN1MAPTKMT2A
SCHEMBL17971591 0.74 HTR6 (0.46) MEN1MAPTKMT2A
SCHEMBL19983777 0.73 ADRB2 (0.37) P2RX7
SCHEMBL19984305 0.73 ALDH1A1 (0.41)
SCHEMBL19983915 0.73 MKNK2 (0.35) P2RX7
SCHEMBL19983957 0.73 SLC6A4 (0.37)

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