SCHEMBL9850283

SCHEMBL9850283

CCCCCCCCCCCc1cnc(-c2ccc(CCCCCCC)cc2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
RAB9A P51151 4/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
ALDH1A1 P00352 3/20 0.79
HSD17B10 Q99714 3/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
KDM4E B2RXH2 2/20 0.79
USP2 O75604 1/20 0.79
GAA P10253 1/20 0.79
HPGD P15428 1/20 0.79
RARB P10826 6/20 0.72
NPC1 O15118 2/20 0.56
STAT3 P40763 1/20 0.56
ATM Q13315 1/20 0.56
RARA P10276 1/20 0.54
MTOR P42345 1/20 0.54
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL9403673 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10346231 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9850160 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9840084 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10346280 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9617113 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7159512 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9220200 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9615976 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9850137 1.00 MAPT (0.79) MAPTRAB9ASMN1; SMN2ALDH1A1HSD17B10

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-0454157-A1 Alkylphenylalkylpyrimidine compound and liquid crystal composition containing the same Chisso Corporation (JP) 1991-10-30 EP claimed