SCHEMBL28536639

SCHEMBL28536639

Cc1cc2cc(Br)ccc2nc1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.69
PRNP P04156 2/20 0.55
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARG P37231 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ERBB2 P04626 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
DCLK1 O15075 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL28539313 0.89 PDE10A (0.53) PDE10APRNPMAPTALDH1A1KDM4E
SCHEMBL30072276 0.85 PRNP (0.50) PDE10APRNPMAPTALDH1A1L3MBTL1
SCHEMBL28853907 0.83 PDE10A (0.74) PDE10APRNPMAPTALDH1A1L3MBTL1
SCHEMBL28529940 0.82 PDE10A (0.73) PDE10AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL2125225 0.82 PDE10A (1.00) PDE10AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL21004738 0.81 PRNP (0.50) PDE10APRNPMAPTALDH1A1L3MBTL1
SCHEMBL16651929 0.81 PRNP (0.61) PDE10APRNPMAPTALDH1A1L3MBTL1
SCHEMBL30999690 0.80 PDE10A (0.96) PDE10AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL6858227 0.80 PDE10A (0.96) PDE10AMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL27610987 0.80 PDE10A (0.96) PDE10AMAPTALDH1A1L3MBTL1KDM4E

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-112521333-A Synthesis method of chiral 2, 3-disubstituted tetrahydroquinoline derivative 中国科学院大连化学物理研究所 2021-03-19 CN disclosed