SCHEMBL23635683

SCHEMBL23635683

COC(=O)Cn1c(=S)[nH]c(=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.38
TNF P01375 1/20 0.37
MAPT P10636 1/20 0.35
LGMN Q99538 1/20 0.35
MAPK10 P53779 1/20 0.35
PKM P14618 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL24961270 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL23635688 0.77 KDM1A (0.41) KDM4EMEN1CYP2C9CYP2C19KMT2A
SCHEMBL23645214 0.74 LGMN (0.53) SMN1; SMN2KDM4EMEN1KMT2AKDM1A
SCHEMBL24703554 0.71 KDM4E (0.57) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL14123262 0.71 KDM4E (0.49) SMN1; SMN2KDM4EMEN1CYP2C9CYP2C19
SCHEMBL7340852 0.70 KDM4E (0.52) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL23644930 0.67 LGMN (0.50) KDM4EMEN1KMT2ANPSR1KDM1A
SCHEMBL29251528 0.66 APEX1 (0.53) KDM4EKMT2AKDM1AALDH1A1HPGD
SCHEMBL11045234 0.65 GRIK1 (0.45) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL18989707 0.65 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMEN1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed
WO-2021139498-A1 ISOXAZOLINE OXIME CARBOXYLATE COMPOUND, PREPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed
WO-2021139482-A1 CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-07-15 WO disclosed