SCHEMBL14199481

SCHEMBL14199481

N/C=N/Nc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
GAA P10253 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 3/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CISD1 Q9NZ45 1/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 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
SCHEMBL379196 0.77 MAPT (0.57) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL10335995 0.77 MAPT (0.74) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL16977022 0.75 MAPT (0.51) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL4184589 0.75 MAPT (0.55) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL4184585 0.75 MAPT (0.55) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL13596605 0.74 NOX1 (0.58) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL28508988 0.74 MAPT (0.57) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL15515688 0.74 MAPT (0.53) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL28115197 0.74 MAPT (0.53) MAPTGAASMN1; SMN2RAB9ALMNA
SCHEMBL28115196 0.74 MAPT (0.53) MAPTGAASMN1; SMN2RAB9ALMNA

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
EP-1753422-B1 SMALL MOLECULE INHIBITORS FOR MRP1 AND OTHER MULTIDRUG TRANSPORTERS CLEVELAND CLINIC FOUNDATION (US) 2008-05-28 EP disclosed