SCHEMBL6561694

SCHEMBL6561694

C=CCOc1ccc2c(ccn2-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.47
BIRC5 O15392 1/20 0.47
HPGD P15428 2/20 0.43
CYP19A1 P11511 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PLA2G4A P47712 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL5737815 0.79 LSS (0.51) MEN1KMT2A
SCHEMBL4590763 0.78 BIRC5 (0.46) BIRC5CYP19A1KCNH2MCHR1
SCHEMBL4590533 0.77 BIRC5 (0.54) FGFR1BIRC5HPGDCYP19A1MAPT
SCHEMBL4590676 0.77 BIRC5 (0.44) BIRC5CYP19A1KCNH2MCHR1
SCHEMBL3453122 0.73 CA12 (0.53) HPGDCA12CA1CA9MEN1
SCHEMBL5738113 0.73 LSS (0.43) FGFR1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL5738111 0.73 LSS (0.43) FGFR1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL6561722 0.72 KDM4E (0.45) FGFR1CA12CA1CA9MEN1
SCHEMBL5735254 0.71 KCNH2 (0.46) HPGDLMNAMAPTSMN1; SMN2KCNH2
SCHEMBL5735260 0.71 KCNH2 (0.46) HPGDLMNAMAPTSMN1; SMN2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
EP-0904079-A4 1999-05-06 EP disclosed
EP-0904079-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-03-31 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed
WO-1997027857-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed