SCHEMBL3976937

SCHEMBL3976937

CC(=O)Oc1ccc(C(=O)OC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)c(C(=O)NN)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
MAPT P10636 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRB1 P08588 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL3980558 0.92 POLB (0.38) MEN1KMT2AALDH1A1ADORA2AADORA1
SCHEMBL3975602 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3973500 0.84 ALDH1A1 (0.36) NPC1MEN1KMT2AALDH1A1ADORA3
SCHEMBL3974632 0.81 CTSD (0.38) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3974207 0.79 ACLY (0.37) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3978639 0.79 HTT (0.37) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL3978027 0.79 CTSD (0.37) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3977002 0.79 POLB (0.37) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3982340 0.79 CTSD (0.36) ALDH1A1MAPTLMNATP53HTT
SCHEMBL3981614 0.78 ALOX15 (0.34) MEN1KMT2AALDH1A1MAPTLMNA

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
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed