SCHEMBL21362689

SCHEMBL21362689

CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)N(C)C(=O)O)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP2C9 P11712 1/20 0.60
TBXA2R P21731 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C1 Q04828 1/20 0.60
NR1I3 Q14994 1/20 0.60
HIF1A Q16665 1/20 0.60
KDM4E B2RXH2 1/20 0.39
MCHR1 Q99705 1/20 0.39
PTGER1 P34995 3/20 0.38
KCNH2 Q12809 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL19096540 0.86 MEN1 (0.73) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL14371709 0.85 MEN1 (0.64) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL28623676 0.85 KMT2A (0.64) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL17471522 0.85 CYP2C9 (0.64) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL12961326 0.84 MEN1 (0.75) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL28605437 0.84 KMT2A (0.62) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL20920719 0.83 MEN1 (0.71) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL11125935 0.83 CYP2C9 (0.57) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL14363142 0.83 KMT2A (0.60) MEN1KMT2AABCC3ABCC4ABCB11
SCHEMBL5389225 0.82 MEN1 (0.60) MEN1KMT2AABCC3ABCC4ABCB11

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
US-10422775-B2 Methods for determining relative response factors for impurity analysis using liquid chromatography with absorbance and evaporative light scattering detection WATERS TECHNOLOGIES CORPORATION (US) 2019-09-24 US disclosed