SCHEMBL6993428

SCHEMBL6993428

COC(=O)c1ccc(C=C2Cc3ccccc3C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.64
MAOB P27338 3/20 0.62
MAOA P21397 2/20 0.62
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
CES2 O00748 1/20 0.59
CYP19A1 P11511 2/20 0.57
TNF P01375 2/20 0.57
STK17B O94768 1/20 0.56
PTGS2 P35354 2/20 0.56
ACHE P22303 3/20 0.55
BCHE P06276 1/20 0.55

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
SCHEMBL6993424 1.00 MIF (0.64) MIFMAOBMAOAKDM4EMEN1
SCHEMBL8548291 0.88 MAPT (0.66) MIFMAOBKDM4EMEN1ALDH1A1
SCHEMBL8548289 0.88 MAPT (0.66) MIFMAOBKDM4EMEN1ALDH1A1
Gallic Acid Methyl Ester SCHEMBL28717973 0.85 MIF (0.60) MIFMAOBMAOAKDM4EMEN1
SCHEMBL10471896 0.84 MIF (0.57) MIFMAOBMAOAKDM4EMEN1
SCHEMBL8348818 0.83 MAOB (0.74) MIFMAOBMAOAKDM4EMEN1
SCHEMBL1063845 0.83 MAOB (0.74) MIFMAOBMAOAKDM4EMEN1
SCHEMBL1063843 0.83 MAOB (0.74) MIFMAOBMAOAKDM4EMEN1
SCHEMBL1064903 0.81 MAOB (0.70) MIFMAOBMAOAMEN1ALDH1A1
SCHEMBL1064902 0.81 MAOB (0.70) MIFMAOBMAOAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165544-B1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GMBH (DE) 2003-08-06 EP disclosed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed