SCHEMBL20844985

SCHEMBL20844985

Cc1cccc(N(C)N)c1COc1ccn(-c2nc3ccc(O)cc3s2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
AR P10275 1/20 0.34
MAOB P27338 4/20 0.34
APP P05067 2/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
SULT1A1 P50225 1/20 0.30
CA1 P00915 2/20 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
SCHEMBL20845284 0.85 LOXL2 (0.33) HTTMAPTKMT2ARAB9ANPSR1
SCHEMBL20844982 0.83 TP53 (0.34) MAPTTP53GAAMEN1KMT2A
SCHEMBL20845147 0.79
SCHEMBL20844947 0.77 EED (0.33)
SCHEMBL20844913 0.77
SCHEMBL22564045 0.74 SIGMAR1 (0.33) HTTMAPTGAAL3MBTL1MEN1
SCHEMBL22563768 0.74 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20844977 0.74 HTR3A (0.32) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL20845277 0.73 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22563981 0.73 SIGMAR1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19

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