SCHEMBL7561006

SCHEMBL7561006

CCOC(=O)CN[C@H](C)[C@H](CCc1ccccc1)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
F10 P00742 2/20 0.41
F2 P00734 2/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 4/20 0.39
PPID Q08752 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL7561017 0.94 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1F10F2HPGD
SCHEMBL7561981 0.85 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL7561384 0.84 ALDH1A1 (0.43) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL7567148 0.83 NPC1 (0.38) SMN1; SMN2F10F2HPGDALDH1A1
SCHEMBL7563408 0.81 NPSR1 (0.47) SMN1; SMN2KMT2ANPSR1ALDH1A1MAPT
SCHEMBL7561001 0.81 MMP13 (0.39) SMN1; SMN2KMT2AHPGDALDH1A1MEN1
SCHEMBL7563170 0.79 NPSR1 (0.45) SMN1; SMN2KMT2ANPSR1F10F2
SCHEMBL7570883 0.77 LMNA (0.46) SMN1; SMN2KMT2ANPSR1HPGDMAPT
SCHEMBL7567526 0.72 HRH4 (0.44) SMN1; SMN2KMT2AHPGDALDH1A1MAPT
SCHEMBL9188639 0.72 PPID (0.52) SMN1; SMN2F10F2ALDH1A1LTA4H

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
EP-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP disclosed
US-6011174-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENT ANTITUMOR ACTIVITIES, BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0882703-A1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed