SCHEMBL11100554

SCHEMBL11100554

Cc1ccc2c(=O)c3ccccc3sc2c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HCRTR1 O43613 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL29582442 1.00 MAPT (0.56) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL30278836 0.85 GPR3 (0.50) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL13021657 0.85 GPR3 (0.50) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL1042694 0.82 MAPT (0.64) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL8086595 0.81 ALDH1A1 (0.63) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL10059336 0.79 MAPT (0.58) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL29402827 0.76 MAPT (0.63) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL530095 0.76 MAPT (0.63) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL30161811 0.76 ALDH1A1 (0.64) MAPTALDH1A1POLBL3MBTL1HCRTR1
SCHEMBL3483642 0.76 ALDH1A1 (0.64) MAPTALDH1A1POLBL3MBTL1HCRTR1

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-0110832-A1 Xanthene-9-ones and thioxanthene-9-ones CIBA-GEIGY AG (CH) 1984-06-13 EP disclosed