SCHEMBL19984279

SCHEMBL19984279

CNCc1cn(Sc2ccc(C(F)(F)F)cc2)c2cc(Nc3ccc(C)cc3Cl)ccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2A P28223 4/20 0.33
KCNH2 Q12809 4/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
VDR P11473 2/20 0.31
TEAD1 P28347 1/20 0.30
YAP1 P46937 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
SCHEMBL19984029 0.91 APP (0.35) SLC6A4HTR2AKCNH2LMNAMAPK1
SCHEMBL19983946 0.86 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL19984163 0.84 FADS1 (0.36) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL19983775 0.83 EGFR (0.34) VDR
SCHEMBL19984021 0.81 GAK (0.40) SLC6A4HTR2AKCNH2
SCHEMBL16626550 0.81 HTR6 (0.41) MAPK1TEAD1YAP1
SCHEMBL19983954 0.81 HTR2A (0.32) SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL16619304 0.81 HTR6 (0.40) MAPK1TEAD1YAP1
SCHEMBL19983933 0.78 KDM4E (0.32)
SCHEMBL19983888 0.77 P2RX7 (0.31) SLC6A4SLC6A2KCNH2

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