SCHEMBL8901937

SCHEMBL8901937

COc1ccc(C(=O)Cl)cc1OCc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SMPD1 P17405 2/20 0.54
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.49
ANO1 Q5XXA6 1/20 0.49
ANO2 Q9NQ90 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL8899897 0.92 MRGPRX4 (0.57) MAPTSMN1; SMN2SMPD1POLBGAA
SCHEMBL8899650 0.83 PDE4D (0.60) MAPTSMN1; SMN2SMPD1POLBGAA
SCHEMBL8899587 0.82 MAPT (0.51) MAPTSMN1; SMN2POLBGAAL3MBTL1
SCHEMBL8892213 0.81 MAPT (0.58) MAPTSMN1; SMN2SMPD1L3MBTL1MEN1
SCHEMBL25202091 0.77 MAPT (0.58) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL8899857 0.72 MAPT (0.58) MAPTSMN1; SMN2SMPD1L3MBTL1MEN1
SCHEMBL2090476 0.72 KMT2A (0.57) MAPTSMN1; SMN2POLBGAAL3MBTL1
SCHEMBL8890866 0.71 NOTUM (0.74) MAPTSMN1; SMN2POLBGAAL3MBTL1
SCHEMBL2359911 0.71 MAPT (0.51) MAPTSMN1; SMN2POLBGAAUSP2
SCHEMBL16712926 0.70 POLB (0.49) MAPTSMN1; SMN2SMPD1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed