SCHEMBL9614299

SCHEMBL9614299

Cc1ccc(CCc2ccccc2)c(C)c1.[Au]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.43
PSMB8 P28062 1/20 0.43
PSMB5 P28074 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL115910 0.98 RAB9A (0.45) RAB9ANPC1L3MBTL1SMN1; SMN2LMNA
SCHEMBL30173450 0.98 RAB9A (0.45) RAB9ANPC1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6547356 0.87 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6546810 0.87 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2LMNA
SCHEMBL10487810 0.86 TAAR1 (0.46) ALDH1A1
SCHEMBL6547406 0.83 TAAR1 (0.48) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16191236 0.82 TAAR1 (0.57) RAB9ANPC1L3MBTL1SMN1; SMN2LMNA
SCHEMBL6547470 0.82 TAAR1 (0.54) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL3301748 0.80 CYP3A4 (0.53) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL8406693 0.79 TYR (0.46) RAB9AL3MBTL1ALDH1A1TDP1

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-5091004-A Dye or dyes dissolved in mixed good and poor solvents; used for jet printer DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-02-25 US disclosed