SCHEMBL28312469

SCHEMBL28312469

Cc1cc(O)c2sc3ccccc3c(=O)c2c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 7/20 0.55
POLB P06746 2/20 0.55
HCRTR1 O43613 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MAOB P27338 2/20 0.50
MAOA P21397 2/20 0.50
ESR2 Q92731 2/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 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
SCHEMBL3164229 0.83 ALDH1A1 (0.55) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL8078642 0.81 MAPT (0.57) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL30161909 0.80 MAPT (0.61) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL2126343 0.77 MAOA (0.51) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL16736486 0.77 MAPT (0.56) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL5218956 0.76 MAOA (0.57) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL8103104 0.75 MAPT (0.65) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL28311473 0.75 MAPT (0.52) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL3159460 0.74 MAOB (0.52) MAPTALDH1A1POLBHCRTR1L3MBTL1
SCHEMBL10059336 0.74 MAPT (0.58) MAPTALDH1A1POLBHCRTR1L3MBTL1

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
CN-110139852-A Tricyclic heterocyclic derivatives and use thereof 奥克兰联合服务有限公司 2019-08-16 CN disclosed