SCHEMBL20844974

SCHEMBL20844974

Cc1cccc(N(N)C(=O)N(C)N)c1COc1ccn(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALKBH3 Q96Q83 3/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL20844994 0.83 ALDH1A1 (0.30) L3MBTL1SMN1; SMN2MAPT
SCHEMBL20844928 0.79 CYP1A2 (0.31)
SCHEMBL22564019 0.79 NR1H4 (0.33) MAPT
SCHEMBL19909868 0.79 ALDH1A1 (0.35) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL20845127 0.78 CRHR1 (0.30)
SCHEMBL20844915 0.78 MTNR1A (0.34)
SCHEMBL20844972 0.78 SGMS2 (0.32) KDM4EL3MBTL1
SCHEMBL20844904 0.78 NR1H4 (0.33)
SCHEMBL22563756 0.78 DGAT1 (0.34) L3MBTL1NPC1RAB9APKMMAPT
SCHEMBL22563870 0.78 FFAR1 (0.32)

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-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed