SCHEMBL4618331

SCHEMBL4618331

O=C(OC(=O)c1ccc(Cl)cc1Sc1csc2ccccc12)c1ccccc1Sc1csc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 2/20 0.39
CNR2 P34972 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL4618325 0.88 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4066727 0.87 ABL1 (0.45) ALDH1A1HPGDKMT2AMAOBHDAC3
SCHEMBL4059186 0.84 MAOB (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4066723 0.80 MAPT (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4065047 0.80 MAOB (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4616482 0.79 SLC6A3 (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4068766 0.78 HSD17B10 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4064890 0.75 POLB (0.50) ALDH1A1MAPTCNR2HDAC3HDAC4
SCHEMBL4058374 0.74 SIRT1 (0.54) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4436373 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMEN1KMT2A

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-1893596-A2 BENZOÝB¨FURANE AND BENZOÝB¨THIOPHENE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2007023395-A2 BENZO[B]FURANE AND BENZO[B]THIOPHENE DERIVATIVES H. LUNDBECK A/S (US) 2007-03-01 WO disclosed