SCHEMBL9629646

SCHEMBL9629646

COc1ccccc1Nc1cc(C)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
HTT P42858 1/20 0.52
ALDH1A1 P00352 7/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 3/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 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
SCHEMBL5608757 0.86 CYP1A2 (0.55) GAAHTTALDH1A1MAPTNPC1
SCHEMBL5451204 0.83 MAPT (0.58) GAAHTTALDH1A1MAPTPOLB
SCHEMBL1921827 0.83 RAPGEF4 (0.61) GAAHTTALDH1A1MAPTPOLB
SCHEMBL21241199 0.81 RAPGEF4 (0.59) GAAHTTALDH1A1MAPTPOLB
SCHEMBL3191755 0.81 MAPT (0.69) GAAHTTALDH1A1MAPTPOLB
SCHEMBL5923798 0.79 MAPT (0.67) GAAHTTALDH1A1MAPTPOLB
SCHEMBL29196035 0.79 RAPGEF4 (0.71) GAAHTTALDH1A1MAPTNPC1
SCHEMBL18734560 0.77 MAPK1 (0.61) GAAHTTALDH1A1MAPTPOLB
SCHEMBL10480096 0.77 MAPT (0.71) GAAHTTALDH1A1MAPTPOLB
SCHEMBL11219348 0.76 MAPT (0.60) GAAHTTALDH1A1MAPTPOLB

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-5166350-A Process for the manufacture of fluoran compounds CIBA-GEIGY CORPORATION (US) 1992-11-24 US disclosed