SCHEMBL27337079

SCHEMBL27337079

CN(C(=O)NCC(=O)Nc1ccc(CN)cc1)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.48
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
F7 P08709 1/20 0.43
SENP1 Q9P0U3 1/20 0.41
MAPT P10636 2/20 0.41
TPSAB1 Q15661 4/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 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
SCHEMBL27319542 0.83 KLKB1 (0.44) KLKB1HPGDLMNAF7MAPT
SCHEMBL27317866 0.81 KLKB1 (0.44) KLKB1HPGDLMNAF7MAPT
SCHEMBL27345265 0.80 KLKB1 (0.50) KLKB1HPGDLMNASENP1MAPT
SCHEMBL27320583 0.78 BCHE (0.46) ALDH1A1BCHEACHE
SCHEMBL27415918 0.78 HPGD (0.40) KLKB1HPGDLMNAF7MAPT
SCHEMBL27401020 0.77 PPARG (0.50) KLKB1HPGDLMNAF7TPSAB1
SCHEMBL12953853 0.74 MAPT (0.62) KLKB1HPGDMAPTTPSAB1POLB
SCHEMBL27419335 0.74 KLKB1 (0.44) KLKB1MAPTTPSAB1POLBPLG
SCHEMBL8531301 0.74 TSHR (0.59) KLKB1
SCHEMBL27321553 0.73 KLKB1 (0.46) KLKB1HPGDMAPTPOLBPLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046268-C Indolin-2-one derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-11-10 CN disclosed
CN-1117727-A Indolin-2-one derivative CHUGAI PHARMACEUTICAL CO LTD (JP) 1996-02-28 CN disclosed