SCHEMBL7487246

SCHEMBL7487246

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(O)CC1.O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(Sc2ncn3ccsc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6623462 0.97 GRIN2B (0.38) GRIN2BJAK2JAK1TYK2JAK3
SCHEMBL6623310 0.92 L3MBTL1 (0.35) GRIN2BJAK2JAK1TYK2JAK3
SCHEMBL5724018 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6622288 0.76 L3MBTL1 (0.35) GRIN2BJAK2JAK1TYK2JAK3
SCHEMBL5233372 0.73 PREP (0.41) L3MBTL1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6772807 0.73 DPP8 (0.42) L3MBTL1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6623727 0.72 L3MBTL1 (0.34) GRIN2BL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5723978 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL4476414 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL5723982 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A

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-1251133-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed