SCHEMBL8556961

SCHEMBL8556961

CO/C=C(/Cc1csc2nc(COc3ccc(Cl)cc3)cn12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 4/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL8553136 0.91 SMN1; SMN2 (0.41) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8557773 0.87 POLB (0.48) MAPTNPC1RAB9AMRGPRX4HPGD
SCHEMBL8556548 0.82 THRB (0.53) MAPTTP53THRB
SCHEMBL8553904 0.77 THRB (0.40) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8556217 0.77 MAPK9 (0.41) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL8554723 0.74 TP53 (0.50) MAPTNPC1RAB9AHPGDTP53
SCHEMBL8556454 0.74 TP53 (0.36) MAPTHPGDTP53
SCHEMBL8556456 0.74 TP53 (0.36) MAPTHPGDTP53
SCHEMBL8554965 0.73 TP53 (0.34) MAPTTP53
SCHEMBL8557547 0.73 TP53 (0.51) MAPTNPC1RAB9AHPGDTP53

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
EP-0454511-B1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI SA (FR) 1998-06-17 EP disclosed
US-5334609-A Used in agriculture MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-08-02 US disclosed