SCHEMBL18831746

SCHEMBL18831746

Cc1cccc(N(N)C(=O)N(C)N)c1COc1cc(Cl)c(O)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.37
MRGPRX4 Q96LA9 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
HSP90AA1 P07900 2/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
LMNA P02545 1/20 0.32
STS P08842 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL18831547 0.91 MAOA (0.37) MRGPRX4SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL18831506 0.88 LMNA (0.34) MRGPRX4SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL20686857 0.86 MRGPRX4 (0.47) SLC22A12MRGPRX4SMN1; SMN2THRBNPC1
SCHEMBL18831587 0.86 MRGPRX4 (0.37) MRGPRX4MAOA
SCHEMBL18831656 0.85 GRM5 (0.38) MRGPRX4SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL18831482 0.85 MRGPRX4 (0.36) MRGPRX4SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL18831366 0.85 SLC22A12 (0.33) SLC22A12MRGPRX4SMN1; SMN2HSP90AA1
SCHEMBL22038181 0.84 PTGER1 (0.38) SLC22A12SMN1; SMN2THRBALDH1A1HPGD
SCHEMBL21317982 0.84 SLC22A12 (0.41) SLC22A12MRGPRX4MAPTRAB9ASGMS2
SCHEMBL19987601 0.84 MRGPRX4 (0.44) MRGPRX4SMN1; SMN2HSP90AA1NPC1ALDH1A1

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-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed