SCHEMBL7260923

SCHEMBL7260923

COC(=O)c1ccc(-c2ccc(N(C(c3cnc[nH]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)S(=O)(=O)c3ccccc3)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
NAMPT P43490 1/20 0.33
HSD11B1 P28845 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
FNTA P49354 2/20 0.31
PGGT1B P53609 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1I2 O75469 1/20 0.31
RAB9A P51151 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL7258691 0.92 ALDH1A1 (0.39) NAMPTHSD11B1MEN1KMT2AFNTA
SCHEMBL7255934 0.84 FNTA (0.42) FNTAL3MBTL1
SCHEMBL7255182 0.84 FNTA (0.43) FNTAPGGT1BALDH1A1
SCHEMBL7255971 0.79 NR1H4 (0.32) KDM4ECYP1A2CYP2C19MEN1MAPT
SCHEMBL7259659 0.77 HPGD (0.35) KDM4ECYP1A2CYP2C19MEN1CYP3A4
SCHEMBL7255066 0.70 ALDH1A1 (0.36) FNTAPGGT1BALDH1A1L3MBTL1RAB9A
SCHEMBL7258550 0.69 KMT2A (0.40) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL3059132 0.64 ALDH1A1 (0.62) KDM4ECYP1A2CYP2C19MEN1CYP2C9
SCHEMBL7255297 0.63 FNTA (0.52) FNTAPGGT1BALDH1A1
SCHEMBL6814464 0.62 KMT2A (0.61) KDM4ECYP1A2CYP2C19CYP3A4CYP2C9

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed