SCHEMBL5694353

SCHEMBL5694353

Cc1c(C=NO)c2cc(F)ccc2n1-c1ccc(O)cc1.Cc1c(C=NO)c2cc(F)ccc2n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAOB P27338 6/20 0.45
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 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
SCHEMBL5068228 0.97 KMT2A (0.50) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5068230 0.97 KMT2A (0.50) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5066571 0.86 KMT2A (0.64) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5070804 0.86 POLB (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5069179 0.86 POLB (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5069177 0.86 POLB (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5068274 0.85 NPC1 (0.47) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5068271 0.85 NPC1 (0.47) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5694412 0.82 KMT2A (0.59) KMT2AMEN1RAB9ANPC1MAOB
SCHEMBL5066623 0.76 RAB9A (0.42) KMT2AMEN1RAB9ANPC1MAPT

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-1653947-A1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS Wyeth Holdings Corporation (US) 2006-05-10 EP disclosed
WO-2005018636-A1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVE AS ESTROGENIC AGENTS WYETH (US) 2005-03-03 WO disclosed