SCHEMBL4648121

SCHEMBL4648121

O=C(C=CSc1ccccc1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
TGM2 P21980 1/20 0.60
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LPAR1 Q92633 1/20 0.58
LPAR2 Q9HBW0 1/20 0.58
LPAR3 Q9UBY5 1/20 0.58
LMNA P02545 4/20 0.56
THRB P10828 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL4649079 0.87 MMP1 (0.64) ALDH1A1TGM2MAPTSMN1; SMN2LMNA
SCHEMBL3986444 0.86 MAPT (0.56) ALDH1A1TGM2MAPTSMN1; SMN2LPAR1
SCHEMBL9277123 0.86 MAPT (0.56) ALDH1A1TGM2MAPTSMN1; SMN2LPAR1
SCHEMBL4648073 0.86 MAPT (0.56) ALDH1A1TGM2MAPTSMN1; SMN2LPAR1
SCHEMBL3040573 0.84 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2LPAR2LPAR3
SCHEMBL4646465 0.82 MAOA (0.51) ALDH1A1TGM2MAPTSMN1; SMN2LMNA
SCHEMBL4647289 0.82 MMP1 (0.61) ALDH1A1TGM2MAPTSMN1; SMN2POLB
SCHEMBL4644727 0.82 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL3035626 0.82 MMP1 (0.61) ALDH1A1TGM2MAPTSMN1; SMN2POLB
SCHEMBL3035627 0.82 MMP1 (0.61) ALDH1A1TGM2MAPTSMN1; SMN2POLB

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed