SCHEMBL8948277

SCHEMBL8948277

CNC(=O)N(O)[C@H](C)C#Cc1ccc(Cc2ccc(F)cc2)s1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.78
EPHX2 P34913 5/20 0.78
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL13140100 0.90 ALOX5 (0.83) ALOX5EPHX2HPGD
Atreleuton SCHEMBL2108309 0.88 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL504818 0.88 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
Atreleuton SCHEMBL2107799 0.88 ALOX5 (1.00) ALOX5EPHX2ACACBACACA
SCHEMBL8933712 0.81 ALOX5 (0.64) ALOX5EPHX2HPGDSMN1; SMN2KDM4E
SCHEMBL8304903 0.78 ALOX5 (0.65) ALOX5EPHX2HPGDSMN1; SMN2KDM4E
SCHEMBL15806339 0.78 ALOX5 (0.65) ALOX5EPHX2LMNAACACBACACA
SCHEMBL8305234 0.78 ALOX5 (0.82) ALOX5EPHX2ACACBACACA
SCHEMBL8309861 0.78 ALOX5 (0.82) ALOX5EPHX2ACACBACACA
SCHEMBL15122395 0.77 ALOX5 (0.61) ALOX5EPHX2HPGDSMN1; SMN2KDM4E

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
US-5516789-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-05-14 US disclosed