SCHEMBL8196175

SCHEMBL8196175

CNC(=O)c1ncn2cc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4C3)sc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
ELANE P08246 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7722332 0.93 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTTHTR2A
SCHEMBL7728648 0.92 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTTHTR2A
SCHEMBL7722500 0.92 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL7722214 0.92 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTTHTR2A
SCHEMBL7730048 0.91 PLCG1 (0.36) PLCG1ELANEL3MBTL1HTTHTR2A
SCHEMBL7729339 0.90 PLCG1 (0.40) PLCG1ELANEL3MBTL1HTTTDP1
SCHEMBL8195485 0.89 PLCG1 (0.37) PLCG1ELANEL3MBTL1HTR2AALDH1A1
SCHEMBL7730782 0.88 L3MBTL1 (0.41) PLCG1ELANEL3MBTL1HTTHTR2A
SCHEMBL7727982 0.88 PLCG1 (0.35) PLCG1ELANEALDH1A1
SCHEMBL7722380 0.88 PLCG1 (0.34) PLCG1ELANENPC1KMT2APOLB

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
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed