SCHEMBL27320583

SCHEMBL27320583

NCc1ccc(NC(=O)CNC(=O)N(Cc2ccccc2)c2ccc(CN)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
PDK1 Q15118 5/20 0.46
RORC P51449 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41

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 0.81 KLKB1 (0.44)
SCHEMBL27317866 0.81 KLKB1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL27337079 0.78 KLKB1 (0.48) BCHEACHEALDH1A1
SCHEMBL27415918 0.78 HPGD (0.40) ALDH1A1KMT2AMEN1
SCHEMBL27335851 0.76 KMT2A (0.38) ALDH1A1KMT2AMEN1
SCHEMBL27419335 0.74 KLKB1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL27323388 0.74 NPC1 (0.50) PDK1ALDH1A1
SCHEMBL27507480 0.72 EPHX2 (0.73) BCHEACHERORCALDH1A1KMT2A
SCHEMBL27401020 0.72 PPARG (0.50) ALDH1A1
SCHEMBL27321553 0.71 KLKB1 (0.46) ALDH1A1KMT2AMEN1

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