SCHEMBL4292376

SCHEMBL4292376

O=C(O)C(=O)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.67
MITF O75030 1/20 0.65
ALDH1A1 P00352 1/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
PTPN11 Q06124 1/20 0.57
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
SCHEMBL6392968 0.86 MITF (0.69) MITFALDH1A1POLBMAPK1HTT
SCHEMBL4440400 0.85 NPC1 (0.56) GPR35MITFALDH1A1POLBMAPK1
SCHEMBL22588908 0.84 CA12 (0.72) MITFALDH1A1POLBMAPK1HTT
SCHEMBL8006359 0.84 HPGD (0.66) ALDH1A1HPGDRAB9APTPN11TGM2
SCHEMBL7525010 0.83 ALDH1A1 (0.69) MITFALDH1A1POLBMAPK1HTT
SCHEMBL12888865 0.83 MAPK1 (0.65) MITFALDH1A1POLBMAPK1HTT
SCHEMBL4089354 0.83 MITF (0.65) MITFALDH1A1POLBMAPK1HTT
SCHEMBL22543145 0.81 NR1H4 (0.78) MITFALDH1A1POLBMAPK1HTT
SCHEMBL11400184 0.81 GPR35 (1.00) GPR35MAPTPTPN11MEN1KMT2A
SCHEMBL22732031 0.79 TGM2 (0.74) MITFALDH1A1POLBMAPK1HTT

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
US-20090275047-A1 CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLATE CYCLASE SAALAU-BETHELL SUSANNE MARIA 2009-11-05 US disclosed
EP-1904629-A2 CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLATE CYCLASE Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2007010285-A2 CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed