SCHEMBL21189714

SCHEMBL21189714

Cc1ccc(Br)cc1C(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.58
TSHR P16473 1/20 0.56
CASP6 P55212 1/20 0.56
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCKBR P32239 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL14882161 0.87 HTT (0.47) HPGDTSHRCASP6NPC1RAB9A
SCHEMBL256310 0.87 HPGD (0.59) HPGDTSHRCASP6GAANPC1
SCHEMBL29717082 0.86 RAB9A (0.57) HPGDGAANPC1RAB9AHTT
SCHEMBL2104229 0.85 HPGD (0.59) HPGDTSHRCASP6GAANPC1
SCHEMBL4243617 0.83 HTT (0.58) HPGDTSHRCASP6GAANPC1
SCHEMBL12846473 0.83 HPGD (0.58) HPGDTSHRGAANPC1RAB9A
SCHEMBL15306495 0.81 HPGD (0.57) HPGDTSHRNPC1RAB9ANPSR1
SCHEMBL17774812 0.80 HPGD (0.55) HPGDTSHRGAANPSR1HTT
SCHEMBL21189588 0.80 SMN1; SMN2 (0.66) HPGDTSHRNPC1RAB9ANPSR1
SCHEMBL4154834 0.80 HPGD (0.64) HPGDTSHRGAAHTTALDH1A1

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed