SCHEMBL22038744

SCHEMBL22038744

COc1ccc(-c2ccc(Cl)c(OCc3c(C)cccc3N(N)C(=O)N(C)N)c2)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
ERN1 O75460 1/20 0.35
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RORC P51449 3/20 0.31
ALOX5AP P20292 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL22037247 0.86 SLC22A12 (0.36) BRD9BRD7ERN1NR1H4THRB
SCHEMBL22038166 0.80 CHRNA7 (0.36) SMN1; SMN2RORCTHRB
SCHEMBL22037665 0.80 BRD9 (0.35) BRD9BRD7ERN1
SCHEMBL22038181 0.78 PTGER1 (0.38) SMN1; SMN2HPGDTSHRALDH1A1THRB
SCHEMBL16206079 0.75 BRD9 (0.41) BRD9BRD7ERN1PRKAG1PRKAA1
SCHEMBL18831746 0.75 SLC22A12 (0.37) SMN1; SMN2HPGDRAB9AMAPTGPBAR1
SCHEMBL20845127 0.75 CRHR1 (0.30)
SCHEMBL20686857 0.74 MRGPRX4 (0.47) SMN1; SMN2HPGDMAPK1RAB9AMAPT
SCHEMBL20195396 0.72 SMN1; SMN2 (0.38) NR1H4SMN1; SMN2MAPK1MAPT
SCHEMBL23506215 0.72 MRGPRX4 (0.37) NR1H4HPGDALDH1A1HTTSLC6A9

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-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed