SCHEMBL14530969

SCHEMBL14530969

CCCO/N=C(\COc1ccccc1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CXCR1 P25024 3/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ MAPT P10636 5/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL5311834 0.89 MAPT (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5311831 0.89 MAPT (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14531303 0.88 L3MBTL1 (0.39) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5314031 0.87 MEN1 (0.41) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5314039 0.87 MEN1 (0.41) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5316012 0.87 PTPN11 (0.42) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5316013 0.87 PTPN11 (0.42) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5314082 0.86 MAPT (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5314079 0.86 MAPT (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5313697 0.86 MAPT (0.45) RAB9ANPC1MEN1KMT2AALDH1A1

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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed
Send feedback