SCHEMBL16162191

SCHEMBL16162191

Cc1cccc(C(O)(C(N)=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KIF11 P52732 5/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP1 P09874 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 2/20 0.42
KCNN4 O15554 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PTPN5 P54829 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5744305 0.95 LMNA (0.55) LMNAKIF11MAPTKMT2APARP1
Ethane SCHEMBL3002447 0.83 MAPT (0.59) LMNAMAPTKMT2APARP1CYP3A4
SCHEMBL366365 0.83 MAPT (0.58) LMNAMAPTKMT2APARP1CYP3A4
SCHEMBL11627035 0.81 LMNA (0.50) LMNAKIF11MAPTKMT2APARP1
Hydrochloric Acid SCHEMBL23198120 0.81 MAPT (0.56) LMNAMAPTKMT2APARP1CYP3A4
SCHEMBL19770179 0.80 LMNA (0.52) LMNAKIF11KMT2ACYP2D6KCNH2
SCHEMBL6824958 0.79 KIF11 (0.48) LMNAKIF11MAPTKMT2APARP1
SCHEMBL4593887 0.78 PARP1 (0.52) LMNAKIF11MAPTKMT2APARP1
SCHEMBL27621135 0.77 KMT2A (0.62) LMNAKIF11MAPTKMT2APARP1
SCHEMBL30087612 0.75 PARP1 (0.48) LMNAKIF11MAPTKMT2APARP1

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-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed