SCHEMBL6895476

SCHEMBL6895476

[CH]NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
AGXT P21549 1/20 0.50
PRMT6 Q96LA8 5/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CARM1 Q86X55 2/20 0.43
BCL2 P10415 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
HTR1A P08908 1/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6895474 1.00 AOC3 (0.53) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL17760435 0.81 AOC3 (0.54) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL22000113 0.81 BCHE (0.55) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL3427521 0.79
SCHEMBL18664427 0.79 AOC3 (0.53) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL21507984 0.79 AOC3 (0.53) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL17251747 0.79 IDO1 (0.64) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL5550583 0.79 THRB (0.64) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL1252083 0.79 PRMT6 (0.73) AOC3KDM1AMAOAAGXTPRMT6
SCHEMBL11410766 0.76 PRMT6 (0.50) AOC3KDM1AMAOAAGXTPRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed