SCHEMBL11101489

SCHEMBL11101489

O=C(O)[CH]N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.38
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
HSD11B1 P28845 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL22684280 0.97
SCHEMBL1661685 0.91
SCHEMBL28229333 0.88
SCHEMBL28843101 0.81 L3MBTL3 (0.47) ALDH1A1GAAKMT2AMEN1
SCHEMBL11393780 0.74 HPGD (0.32) ALDH1A1HPGD
SCHEMBL6039604 0.74 L3MBTL1 (0.39) ALDH1A1HPGDGAAKMT2AMMP1
SCHEMBL9253930 0.74 ALDH1A1 (0.38) ALDH1A1HPGDGAAMMP1MMP2
SCHEMBL17710771 0.74 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2SMN1; SMN2HTT
SCHEMBL4125267 0.72 TSHR (0.40) ALDH1A1HPGDMAPK1SMN1; SMN2HTT
SCHEMBL4125262 0.72 TSHR (0.40) ALDH1A1HPGDMAPK1SMN1; SMN2HTT

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-3390361-A1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS Incyte Corporation (US) 2018-10-24 EP claimed
WO-2017106634-A1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS INCYTE CORPORATION (US) 2017-06-22 WO claimed
US-4486471-A WATER-INSOLUBLE, ACID-SOLUBLE POLYMER TANABE SEIYAKU CO., LTD. (JP) 1984-12-04 US disclosed