SCHEMBL9702388

SCHEMBL9702388

CC(C)c1cc(Oc2ccccc2Cl)cc(C(C)C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.45
SLC6A4 P31645 4/20 0.41
HTR2A P28223 3/20 0.41
KCNH2 Q12809 3/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
AR P10275 1/20 0.37
GAA P10253 2/20 0.37
RCE1 Q9Y256 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9702892 0.81 PARP10 (0.43) LMNASMN1; SMN2ARGAARCE1
SCHEMBL9628143 0.78 CARM1 (0.44) SLC6A4HTR2ASMN1; SMN2GAARCE1
SCHEMBL4360185 0.78 MEN1 (0.47) SMN1; SMN2GAAMAPTHTTALDH1A1
SCHEMBL9701890 0.77 XIAP (0.40) XIAPSLC6A4HTR2AKCNH2LMNA
SCHEMBL3941962 0.76 ALDH1A1 (0.37) SMN1; SMN2GAAP2RX3P2RX2CYP3A4
Hydrochloric Acid SCHEMBL9364864 0.76 MEN1 (0.50) SMN1; SMN2GAAMAPTHTTALDH1A1
Water SCHEMBL28207329 0.76 MEN1 (0.46) SMN1; SMN2GAAMAPTHTTALDH1A1
SCHEMBL31544426 0.76 MGLL (0.43) XIAPSLC6A4HTR2AKCNH2DPP4
SCHEMBL9704788 0.76 XIAP (0.37) XIAPSLC6A4HTR2AKCNH2LMNA
SCHEMBL11435322 0.75 P2RX3 (0.49) XIAPSLC6A4HTR2AKCNH2SLC6A2

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-0481921-A1 Substituted carbodiimides and thio-ureas and their utilisation against insects CIBA-GEIGY AG (CH) 1992-04-22 EP disclosed