SCHEMBL8827353

SCHEMBL8827353

O=C(Nc1ccccc1)OOC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
EPHX1 P07099 1/20 0.61
EPHX2 P34913 1/20 0.61
CDK9 P50750 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
NAPRT Q6XQN6 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL9074710 0.89 ALDH1A1 (0.54) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL28333317 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL2244779 0.85 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL9629186 0.85 SMN1; SMN2 (0.54) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8710363 0.84 RAB9A (0.51) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL11321069 0.84 NPC1 (0.62) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL28049157 0.83 RAB9A (0.58) ALDH1A1RAB9AKMT2ANPC1MAPT
SCHEMBL282531 0.83 SMN1; SMN2 (0.71) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8612411 0.83 SMN1; SMN2 (0.58) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL13979800 0.82 ALDH1A1 (0.55) SMN1; SMN2TSHRTP53EPHX1EPHX2

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
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed