SCHEMBL13622389

SCHEMBL13622389

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1ccc(C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
DAO P14920 1/20 0.36
NAMPT P43490 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 6/20 0.33
NPC1 O15118 5/20 0.33
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 3/20 0.33
SENP7 Q9BQF6 3/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
HPGD P15428 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL13622393 0.88 GSK3B (0.39) LMNAHPGD
SCHEMBL13622908 0.80 LMNA (0.41) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL13622324 0.73 NNMT (0.33) KMT2AKDM4EMEN1
SCHEMBL13256628 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13622603 0.71 TUBB4A (0.44) SMN1; SMN2LMNARAB9ANPC1ALDH1A1
SCHEMBL13256629 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13622400 0.69 ATAD2 (0.34) NPC1ALDH1A1KMT2APOLBGAA
SCHEMBL2511414 0.66 DAO (0.55) SMN1; SMN2TAS1R3TAS1R1DAONAMPT
SCHEMBL13622361 0.66 ALDH1A1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL12786330 0.66

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
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed