SCHEMBL9570762

SCHEMBL9570762

Cc1nc(C)c(C(=O)OO)c(-c2ccccc2[N+](=O)[O-])c1C(=O)OO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
F2RL3 Q96RI0 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL29351076 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL744307 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL10745473 0.87 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6949727 0.85 KMT2A (0.49) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL29383650 0.85 KMT2A (0.49) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2636596 0.85 KMT2A (0.49) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8412555 0.85 TDP1 (0.44) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL6956134 0.85 TDP1 (0.53) MAPTALDH1A1LMNAGAATDP1
SCHEMBL6956189 0.85 TDP1 (0.53) MAPTALDH1A1LMNAGAATDP1
SCHEMBL6949730 0.84 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550008-A2 Use of N-acyl derivatives of aminoalcohols with polycarboxylic acids for the manufacture of a medicament for the treatment of pathologies relating to mast cells LIFEGROUP S.p.A. (IT) 1993-07-07 EP claimed
EP-0550008-A2 Use of N-acyl derivatives of aminoalcohols with polycarboxylic acids for the manufacture of a medicament for the treatment of pathologies relating to mast cells LIFEGROUP S.p.A. (IT) 1993-07-07 EP disclosed