SCHEMBL20145565

SCHEMBL20145565

Cc1cc(Br)ccc1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.74
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.59
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 3/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51

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
SCHEMBL16658357 0.88 HPGD (0.69) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL17666331 0.85 SMN1; SMN2 (0.70) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL1420642 0.84 NR1H4 (0.62) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL16135739 0.83 HPGD (0.56) HPGDKMT2AALDH1A1HTTCYP3A4
SCHEMBL16982943 0.82 HPGD (0.64) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL1500192 0.82 HPGD (0.74) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL20145424 0.82 KMT2A (0.74) HPGDKMT2AALDH1A1HTTCYP2C19
SCHEMBL6430365 0.82 HPGD (0.70) HPGDKMT2AALDH1A1HTTMAPK1
SCHEMBL1032002 0.81 MAPK1 (0.77) HPGDKMT2AALDH1A1HTTKDM4E
SCHEMBL18378966 0.80 KMT2A (0.49) HPGDKMT2AALDH1A1KDM4EGAA

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed