SCHEMBL8899587

SCHEMBL8899587

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ANO1 Q5XXA6 1/20 0.50
ANO2 Q9NQ90 1/20 0.50
TACR2 P21452 1/20 0.49
ALDH1A1 P00352 6/20 0.48
HPGD P15428 4/20 0.48
POLB P06746 3/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 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
SCHEMBL8901937 0.82 MAPT (0.55) MAPTSMN1; SMN2ANO1ANO2ALDH1A1
SCHEMBL8899897 0.82 MRGPRX4 (0.57) MAPTSMN1; SMN2ANO1ANO2ALDH1A1
SCHEMBL8898815 0.80 TSHR (0.59) MAPTSMN1; SMN2HPGDTSHRLMNA
SCHEMBL25202091 0.78 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL8899650 0.74 PDE4D (0.60) MAPTSMN1; SMN2POLBKDM4EUSP2
SCHEMBL2090476 0.73 KMT2A (0.57) MAPTSMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL413085 0.72 TACR2 (0.78) MAPTSMN1; SMN2TACR2ALDH1A1HPGD
SCHEMBL31544508 0.72 ALDH1A1 (0.52) MAPTSMN1; SMN2TACR2ALDH1A1HPGD
SCHEMBL31544516 0.72 ALDH1A1 (0.52) MAPTSMN1; SMN2TACR2ALDH1A1HPGD
SCHEMBL7784719 0.70 PDCD1 (0.74) MAPTSMN1; SMN2TACR2ALDH1A1HPGD

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