SCHEMBL22563775

SCHEMBL22563775

Cc1cccc(N(N)C(=O)NN)c1COc1ccn(-c2ccccc2Br)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22563772 0.92 KDM4E (0.34) ALDH1A1MAPTKDM4ENR1H4
SCHEMBL22564161 0.89 NR1H4 (0.37) ALDH1A1MAPTKDM4ENR1H4MEN1
SCHEMBL22563773 0.89 KLKB1 (0.32) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL22564364 0.88 KMT2A (0.34) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL22564091 0.88 NR1H4 (0.38) ALDH1A1MAPTKDM4ENR1H4GAA
SCHEMBL22564153 0.87 ALDH1A1 (0.33) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL19909882 0.87 NR1H4 (0.33) ALDH1A1NR1H4NPC1LMNARAB9A
SCHEMBL22564154 0.85 NR1H4 (0.37) ALDH1A1NR1H4MEN1NPC1LMNA
SCHEMBL20844975 0.85 MCHR1 (0.33) NR1H4NPC1RAB9A
SCHEMBL20844961 0.85 P2RX7 (0.32) ALDH1A1MAPTKDM4ENPC1

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed