SCHEMBL6943858

SCHEMBL6943858

CC(CO)C(CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL6939305 0.94 MAPT (0.59) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6939312 0.94 MAPT (0.59) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6941011 0.93 ALDH1A1 (0.58) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6942791 0.90 ALDH1A1 (0.61) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6939398 0.90 ALDH1A1 (0.61) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6941788 0.88 ALDH1A1 (0.63) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6943333 0.87 ALDH1A1 (0.59) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6939693 0.87 ALDH1A1 (0.59) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL6939699 0.87 ALDH1A1 (0.59) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL7564040 0.86 MAPT (0.61) MAPTALDH1A1POLBSMN1; SMN2HPGD

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-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP claimed