SCHEMBL5066614

SCHEMBL5066614

Cc1c(/C=N\O)c2ccccc2n1-c1ccc(O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
USP14 P54578 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
HTT P42858 3/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
GCGR P47871 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5068717 1.00 PTGS2 (0.38) PTGS2USP14TSHRLMNAGAA
SCHEMBL5066619 1.00 PTGS2 (0.38) PTGS2USP14TSHRLMNAGAA
SCHEMBL5068704 0.88 ALDH1A1 (0.47) USP14LMNAHTTALDH1A1MEN1
SCHEMBL22310450 0.85 USP14 (0.39) USP14TSHRLMNAGAAHTT
SCHEMBL14319938 0.84 HPGD (0.36) PTGS2USP14TSHRLMNAGAA
SCHEMBL5070842 0.82 TSHR (0.42) TSHRLMNAGAAHTTALOX15
SCHEMBL5068725 0.82 TSHR (0.42) TSHRLMNAGAAHTTALOX15
SCHEMBL5068732 0.82 TSHR (0.42) TSHRLMNAGAAHTTALOX15
SCHEMBL5066622 0.80 RAB9A (0.42) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL5066623 0.80 RAB9A (0.42) LMNAGAAALDH1A1MAPTMEN1

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-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP claimed