SCHEMBL16626783

SCHEMBL16626783

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Cc3ccc(F)cc3Cl)ccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 5/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2C P28335 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TBXAS1 P24557 1/20 0.31
NAMPT P43490 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 2/20 0.31
KCNH2 Q12809 1/20 0.31
DGAT2 Q96PD7 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
SCHEMBL16626650 0.88 SLC6A4 (0.33) SLC6A2SLC6A3SLC6A4HTR2CNAMPT
SCHEMBL16626624 0.85 KLKB1 (0.33) KDM4ENAMPT
SCHEMBL19984028 0.83 ALDH1A1 (0.37) KDM4ENAMPTALDH1A1DGAT2
SCHEMBL16626750 0.83 RAB9A (0.36) HTR2CKDM4ENAMPTALDH1A1
SCHEMBL16626644 0.79 CYP11B1 (0.37) NAMPTDGAT2
SCHEMBL16626693 0.79 TBXAS1 (0.31) TBXAS1NAMPTALDH1A1
SCHEMBL19983950 0.79 CYP11B1 (0.41) SLC6A4DGAT2
SCHEMBL16626424 0.79 MAPK14 (0.36) KDM4ETBXAS1NAMPTALDH1A1
SCHEMBL19983960 0.78 CYP11B1 (0.36) NAMPTDGAT2
SCHEMBL17971579 0.78 SLC6A2 (0.38) P2RX7SLC6A2SLC6A3SLC6A4TBXAS1

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
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed