SCHEMBL8301545

SCHEMBL8301545

CNC(=O)ON=Cc1cc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
FAAH O00519 8/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8301543 1.00 TDP1 (0.37) TDP1ALDH1A1TSHRHSD17B10GAA
SCHEMBL8302038 0.84 MIF (0.35) GAAFAAHNPC1RAB9AMEN1
SCHEMBL8302035 0.84 MIF (0.35) GAAFAAHNPC1RAB9AMEN1
SCHEMBL8302198 0.82 ALDH1A1 (0.36) TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8302197 0.82 ALDH1A1 (0.36) TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8305288 0.73 PLK1 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8305287 0.73 PLK1 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8307303 0.72
SCHEMBL8307299 0.72
SCHEMBL8304607 0.71 GPR55 (0.42) TDP1ALDH1A1TSHRNPC1RAB9A

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-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed