SCHEMBL4029880

SCHEMBL4029880

O=C(O)c1ccc(C(c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SCN2A Q99250 1/20 0.50
RECQL P46063 1/20 0.46
SRD5A2 P31213 1/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HK1 P19367 1/20 0.43
MAPK1 P28482 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43

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
SCHEMBL17916031 0.88 DRD3 (0.52) TSHRRECQLKMT2AMAPTNPSR1
SCHEMBL3299084 0.83 SMN1; SMN2 (0.55) ALOX15TSHRRECQLKMT2APOLB
SCHEMBL4071092 0.80 MEN1 (0.46) KMT2AMAPTDRD2DRD3MEN1
SCHEMBL11674016 0.79 KMT2A (0.64) KMT2APOLBL3MBTL1HPGDMEN1
SCHEMBL29005218 0.77 TP53 (0.52) ALOX15TSHRRECQLKMT2APOLB
SCHEMBL30342198 0.77 TP53 (0.52) ALOX15TSHRRECQLKMT2APOLB
4-Chloro-Benzoic Acid SCHEMBL29157593 0.73 TSHR (0.85) ALOX15TSHRCA1CA2SRD5A2
SCHEMBL11576538 0.73 P2RX4 (0.54) RECQLKMT2APOLBLMNAMAPT
SCHEMBL13657746 0.71 MEN1 (0.38) RECQLKMT2ALMNAL3MBTL1MAPT
SCHEMBL11099532 0.71 MAOB (0.47) RECQLKMT2APOLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed