SCHEMBL28467752

SCHEMBL28467752

O=C(O)c1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP19A1 P11511 1/20 0.55
GSTO1 P78417 1/20 0.53
ATP4A P20648 2/20 0.52
ATP4B P51164 2/20 0.52
DHODH Q02127 7/20 0.51
EIF4E P06730 2/20 0.48
HTR2C P28335 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ALPL P05186 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6660568 0.86 ATP4A (0.58) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL14098391 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL25276567 0.81 PKM (0.56) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL31401007 0.81 MPL (0.58) SMN1; SMN2NPC1RAB9AKDM4EGSTO1
SCHEMBL27751529 0.80 ATP4A (0.58) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL13484523 0.79 DHODH (0.58) SMN1; SMN2NPC1RAB9AKDM4EGSTO1
SCHEMBL7434486 0.78 ATP4A (0.50) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL167820 0.78 RAB9A (0.58) SMN1; SMN2NPC1RAB9AKDM4EGSTO1
SCHEMBL167409 0.77 HPGDS (0.60) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1
SCHEMBL7434493 0.77 ATP4A (0.59) SMN1; SMN2NPC1RAB9AKDM4ECYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875559-B Thiazole hydrazide derivatives and application thereof as agricultural bactericide 南京农业大学 2022-11-22 CN disclosed
CN-111875559-A Thiazole hydrazide derivatives and application thereof as agricultural bactericide 南京农业大学 2020-11-03 CN disclosed