SCHEMBL6747365

SCHEMBL6747365

CCn1c(=O)n(Cc2ccc(CBr)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HDAC1 Q13547 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ C5AR1 P21730 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GFER P55789 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
SCHEMBL1863037 0.86 KMT2A (0.61) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL1860751 0.84 KMT2A (0.52) KMT2AMEN1GAAL3MBTL1HDAC1
SCHEMBL4621924 0.80 ALDH1A1 (0.59) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL1857784 0.78 VDR (0.50) KMT2AMEN1GAAL3MBTL1MAPT
SCHEMBL1859277 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6850492 0.75 HDAC1 (0.50) KMT2AMEN1GAAL3MBTL1HDAC1
SCHEMBL6852970 0.75 KMT2A (0.49) KMT2AMEN1GAAL3MBTL1HDAC1
SCHEMBL9977532 0.74 HTR6 (0.50) KMT2AMEN1GAAL3MBTL1HDAC1
SCHEMBL4870762 0.73 KMT2A (0.61) KMT2AMEN1GAAL3MBTL1LMNA
SCHEMBL7359654 0.73 PRMT5 (0.57) KMT2AMEN1L3MBTL1HDAC1LMNA

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
WO-2004058720-A2 COMPOUND LIBRARIES OF 1,3,5-SUBSTITUTE INDAZOLE DERIVATIVES AS COMPOUNDS FOR TARGETTING COMPOUNDS CAPABLE OF BINDING TO THE G-PROTEIN COUPLED RECEPTOR BIOFOCUS PLC (GB) 2004-07-15 — — WO disclosed
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