SCHEMBL11340702

SCHEMBL11340702

O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
ALDH1A1 P00352 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
LMNA P02545 4/20 0.70
MAPK1 P28482 2/20 0.70
KMT2A Q03164 4/20 0.69
HPGD P15428 2/20 0.69
MEN1 O00255 2/20 0.69
HTT P42858 1/20 0.69
NPSR1 Q6W5P4 1/20 0.67
TP53 P04637 1/20 0.61
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
FAAH O00519 2/20 0.55
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL11340700 1.00 MAPT (0.70) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11323438 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11323440 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11330911 0.85 MAPT (0.57) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11324833 0.81 NPC1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11324863 0.81 NPC1 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL1332207 0.77 KDM4E (0.64) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6327826 0.77 ALDH1A1 (0.71) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11331816 0.76 KMT2A (0.71) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11335672 0.76 KMT2A (0.60) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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
US-4252952-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US disclosed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US disclosed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 US disclosed