SCHEMBL9770549

SCHEMBL9770549

COc1ccc(NNc2ccccc2OC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 5/20 0.44
ACP1 P24666 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
MMP14 P50281 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL6889991 0.85 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL22169174 0.85 ALDH1A1 (0.44) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11650380 0.78 KCNH2 (0.52) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11410117 0.73 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11770932 0.73 POLB (0.50) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4909838 0.73 CYP1A2 (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL851498 0.73 RAB9A (0.70) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7626397 0.72 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17536014 0.71 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL178454 0.71 CA1 (0.61) MAPTRAB9ANPC1ALDH1A1KMT2A

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
US-5051494-A A bismaleimide and an amino resin MITSUI TOATSU CHEMICALS, INC. (JP) 1991-09-24 US disclosed