SCHEMBL27744244

SCHEMBL27744244

CNC(Cc1ccccc1N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
MME P08473 5/20 0.39
ACE P12821 4/20 0.39
CPA1 P15085 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
ERAP2 Q6P179 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 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
SCHEMBL27744242 1.00 KMT2A (0.41) KMT2AMMEACECPA1ACE2
SCHEMBL6775522 0.84 GNPAT (0.47) MMEACECPA1ACE2ERAP2
SCHEMBL22190046 0.83 KMT2A (0.41) KMT2AMMEACECPA1ACE2
SCHEMBL22190044 0.83 KMT2A (0.41) KMT2AMMEACECPA1ACE2
SCHEMBL10065590 0.81 PPARG (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL27977570 0.81 PPARG (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL29855148 0.81 PPARG (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL16203412 0.81 PPARG (0.48) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL20272568 0.80 PPARG (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL29855406 0.80 PPARG (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2

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
CN-101466408-A Polycation-polyanion complexes, compositions, and methods of use thereof AERIS THERAPEUTICS INC (US) 2009-06-24 CN disclosed