SCHEMBL9502821

SCHEMBL9502821

Cc1nc(COc2ccc(Oc3ccccc3)cc2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 4/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
STAT3 P40763 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNH2 Q12809 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL12090778 0.94 MAPT (0.66) MAPTSMN1; SMN2HTTLMNAALDH1A1
Acetic Acid SCHEMBL9385119 0.87 NPC1 (0.65) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10388610 0.85 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL13192784 0.85 SMN1; SMN2 (0.57) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL7861771 0.84 SMN1; SMN2 (0.71) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL15474300 0.82 HTT (0.45) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL3997492 0.81 RAB9A (0.63) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL15472314 0.81 HTT (0.47) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL6977670 0.79 PKM (0.53) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL13117927 0.79 SMN1; SMN2 (0.52) MAPTSMN1; SMN2HTTLMNAALDH1A1

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-0287959-B1 P-PHENOXY--PHENOXYMETHYL SUBSTITUTED FIVE MEMBERED HETEROAROMATICS BASF Aktiengesellschaft (DE) 1993-04-28 EP disclosed
EP-0287959-A2 p-Phenoxy--phenoxymethyl substituted five membered heteroaromatics BASF Aktiengesellschaft (DE) 1988-10-26 EP disclosed