SCHEMBL6944924

SCHEMBL6944924

O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1NC1CCC(Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 4/20 0.51
LMNA P02545 1/20 0.49
ALDH2 P05091 1/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6944931 1.00 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6943733 0.93 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6939374 0.93 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6939369 0.93 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6941990 0.93 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6940658 0.93 MAPT (0.64) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6943845 0.92 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6943217 0.91 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6946578 0.90 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6946648 0.90 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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 disclosed