SCHEMBL8009922

SCHEMBL8009922

CCC(CN)NC(=O)c1cccc2nc3c(Cl)cccc3nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.55
TAS1R1 Q7RTX1 3/20 0.55
TAS1R2 Q8TE23 1/20 0.55
PTK2 Q05397 1/20 0.42
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAD52 P43351 3/20 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
SCHEMBL7566444 0.87 MAPT (0.49) TAS1R3TAS1R1TAS1R2PTK2MAPT
SCHEMBL7573719 0.85 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2PTK2MAPT
SCHEMBL7573613 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PTK2SMN1; SMN2
SCHEMBL7566996 0.83 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7998024 0.82 MAPT (0.45) TAS1R3TAS1R1TAS1R2PTK2MAPT
SCHEMBL8013624 0.82 MAPT (0.45) TAS1R3TAS1R1TAS1R2PTK2MAPT
SCHEMBL7568051 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2PTK2MAPT
SCHEMBL7567031 0.80 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7570875 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7572166 0.79 AOX1 (0.45) TAS1R3TAS1R1TAS1R2PTK2MAPT

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
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed