SCHEMBL11753138

SCHEMBL11753138

CCCCCCc1cnc(-c2ccc(-c3ccccc3)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.71
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 4/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 1/20 0.63
USP2 O75604 1/20 0.63
GAA P10253 1/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HSD11B1 P28845 2/20 0.51
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
NPC1 O15118 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL11757127 1.00 RARB (0.71) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11754942 0.98 RARB (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27311225 0.97 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27344065 0.97 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL27314694 0.97 RARB (0.70) RARBRAB9ASMN1; SMN2MAPTMEN1
Water SCHEMBL27285934 0.95 RARB (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
Water SCHEMBL27285888 0.95 RARB (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
Water SCHEMBL27285890 0.95 RARB (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9560137 0.95 RARB (0.68) RARBRAB9ASMN1; SMN2MAPTMEN1
Acetic Acid SCHEMBL9271487 0.93 RARB (0.75) RARBRAB9ASMN1; SMN2MAPTMEN1

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-4062798-A NEMATIC CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1977-12-13 US disclosed