SCHEMBL8600524

SCHEMBL8600524

COC(=O)/C=C(\C)[C@H](C)Sc1nc(N)cc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.32
MPO P05164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6642930 1.00 RXRA (0.36) RXRARXRBPPARGPPARAKDM4E
SCHEMBL8600527 1.00 RXRA (0.36) RXRARXRBPPARGPPARAKDM4E
SCHEMBL6642920 1.00 RXRA (0.36) RXRARXRBPPARGPPARAKDM4E
SCHEMBL8135095 0.84 KDM4E (0.33) KDM4ELMNATP53
SCHEMBL8135091 0.84 KDM4E (0.33) KDM4ELMNATP53
SCHEMBL6638349 0.77 MAPK1 (0.45) PPARALMNATP53MAPK1L3MBTL1
SCHEMBL6638359 0.77 MAPK1 (0.45) PPARALMNATP53MAPK1L3MBTL1
SCHEMBL10877592 0.71 ALDH1A1 (0.47) KDM4ELMNATP53L3MBTL1GAA
SCHEMBL6637459 0.70 TP53 (0.41) RXRARXRBPPARAKDM4ELMNA
SCHEMBL6637452 0.70 TP53 (0.41) RXRARXRBPPARAKDM4ELMNA

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
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed