SCHEMBL7053124

SCHEMBL7053124

O=C(COc1ccc2ccccc2c1)c1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.59
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
PPARG P37231 3/20 0.54
NCOA2 Q15596 3/20 0.54
NCOA1 Q15788 3/20 0.54
NCOA3 Q9Y6Q9 3/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL22445087 0.82 PTPN7 (0.59) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL11646493 0.79 PTPN7 (0.59) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL7056130 0.79 ALDH1A1 (0.48) MEN1KMT2ANPSR1RAB9AHPGD
SCHEMBL1312768 0.78 PTPN7 (0.72) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL27194588 0.77 PTPN7 (0.76) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL22671956 0.77 RAB9A (0.66) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL11643263 0.77 PTPN7 (0.56) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL29367022 0.75 PTPN7 (1.00) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL25640 0.75 PTPN7 (1.00) PTPN7MEN1KMT2APPARGNCOA2
SCHEMBL6563888 0.75 PTPN7 (0.73) PTPN7MEN1KMT2APPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941231-B1 Heteroarylic-arylic diphosphines as chiral ligands CHEMI SPA (IT) 2003-05-02 EP disclosed
US-6153758-A Heteroarylic-arylic diphosphines as chiral ligands CHEMI S.P.A. (IT) 2000-11-28 US disclosed