SCHEMBL8086595

SCHEMBL8086595

Cc1cc2c(=O)c3ccccc3sc2c(C)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MAPT P10636 6/20 0.63
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HCRTR1 O43613 2/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAOA P21397 2/20 0.40
APP P05067 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 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
SCHEMBL23139905 0.86 MAPT (0.53) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL30161811 0.84 ALDH1A1 (0.64) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL3483642 0.84 ALDH1A1 (0.64) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL24949823 0.81 ALDH1A1 (0.54) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL11100554 0.81 MAPT (0.56) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL29582442 0.81 MAPT (0.56) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL29352168 0.80 MAPT (0.72) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL37310 0.80 MAPT (0.72) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL30913888 0.79 MAPT (0.57) ALDH1A1MAPTPOLBL3MBTL1HCRTR1
SCHEMBL28800533 0.79 MAPT (0.57) ALDH1A1MAPTPOLBL3MBTL1HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054501-A CURABILITY; GLOSSINESS; CAN BE BLENDED WITH INKS, PAINTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-04-25 US disclosed
EP-0844255-A1 PHOTOPOLYMERIZATION INITIATOR AND ACTINIC RADIATION-CURABLE COMPOSITION COMPRISING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-27 EP disclosed