SCHEMBL19983937

SCHEMBL19983937

CNCc1cn(Sc2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(Cl)cc3F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
MAPT P10636 2/20 0.36
APP P05067 1/20 0.35
P2RX3 P56373 1/20 0.34
SLC6A4 P31645 3/20 0.33
KCNH2 Q12809 3/20 0.33
HTR2A P28223 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C8 P10632 1/20 0.33
MAT2A P31153 1/20 0.33
SLC6A2 P23975 1/20 0.32
EGFR P00533 2/20 0.32
VNN1 O95497 1/20 0.32
HTT P42858 1/20 0.32
IDO1 P14902 2/20 0.32
XBP1 P17861 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19984022 0.88 AKR1C3 (0.38) MAPTAPPALDH1A1POLB
SCHEMBL19984163 0.87 FADS1 (0.36) MPOMAPTP2RX3SLC6A4KCNH2
SCHEMBL19984029 0.86 APP (0.35) MPOMAPTAPPP2RX3SLC6A4
SCHEMBL19983907 0.86 FPR1 (0.36) MAPTSLC6A4KCNH2HTR2ACYP1A2
SCHEMBL19983888 0.85 P2RX7 (0.31) SLC6A4KCNH2CYP1A2CYP2D6CYP2C9
SCHEMBL19984127 0.84 NUDT1 (0.36) SLC6A4KCNH2CYP1A2CYP2D6CYP2C9
SCHEMBL19984021 0.81 GAK (0.40) APPSLC6A4KCNH2HTR2ACYP1A2
SCHEMBL19984271 0.81 HTR2A (0.34) MAPTSLC6A4KCNH2HTR2AEGFR
SCHEMBL19983909 0.81 SLC6A2 (0.35) SLC6A4KCNH2HTR2ASLC6A2KDM4E
SCHEMBL19984114 0.81 CYP1A2 (0.31) CYP1A2CYP2D6CYP2C9CYP2C19CYP2C8

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