SCHEMBL19983956

SCHEMBL19983956

CN(Cc1cn(Sc2cccc(OC(F)F)c2)c2cc(-c3cccnc3C(F)(F)F)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.36
METAP2 P50579 4/20 0.33
RORC P51449 3/20 0.31
DHODH Q02127 1/20 0.30
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDK2 Q15119 1/20 0.30
SCN9A Q15858 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
SCHEMBL16626638 0.84 RORC (0.47) SOS1METAP2RORCPDE4APDE4B
SCHEMBL16618918 0.75 RORC (0.51) METAP2RORCPDE4APDE4BPDE4C
SCHEMBL16626632 0.67 RORC (0.49) METAP2RORCPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL16619315 0.67 RORC (0.49) METAP2RORCPDE4APDE4BPDE4C
SCHEMBL28068082 0.67 RORC (0.49) METAP2RORCPDE4APDE4BPDE4C
SCHEMBL19971362 0.66 RORC (0.48) METAP2RORCPDE4APDE4BPDE4C
SCHEMBL2408757 0.66 SOS1 (0.41) SOS1PDK2
SCHEMBL16626634 0.65 RORC (0.45) SOS1RORC
SCHEMBL2407583 0.62 SOS1 (0.36) SOS1DHODHPDK2
SCHEMBL24884120 0.61 GPER1 (0.35)

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