SCHEMBL7850828

SCHEMBL7850828

C#CCNC(=O)c1ccc(Br)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL7838770 0.91 KMT2A (0.54) KMT2AMEN1ALOX15MAPTFNTA
SCHEMBL27419359 0.78 PLK1 (0.60) KMT2AMEN1ALOX15ALDH1A1HPGD
SCHEMBL11673648 0.77 MEN1 (0.54) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL1037260 0.77 HDAC8 (0.58) KMT2AMEN1ALOX15ALDH1A1RXFP1
SCHEMBL11550893 0.74 TSHR (0.51) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL16819693 0.73 KDM4E (0.54) KMT2AMEN1ALDH1A1RXFP1MAPT
SCHEMBL17214429 0.72 HPGD (0.60) KMT2AMEN1ALOX15ALDH1A1KDM5B
SCHEMBL28961125 0.72 NAAA (0.55) KMT2AMEN1ALOX15ALDH1A1MAPT
SCHEMBL19302643 0.72 HPGD (0.61) ALDH1A1HPGD
SCHEMBL23306676 0.72 PBRM1 (0.55) KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 CN disclosed
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed