SCHEMBL9740534

SCHEMBL9740534

CC(C)(CCl)c1nnc(NC(=O)C2CC2)s1.CC(C)(CCl)c1nnc(NC(=O)C2CC2)s1.CC(C)Nc1nc(Cl)nc(NC2CC2)n1.CC(C)Nc1nc(Cl)nc(NC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
NPR3 P17342 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHKA P35790 1/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDE4A P27815 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL54411 0.80 TSHR (0.50) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8539706 0.80 TSHR (0.50) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
Dazomet SCHEMBL8541031 0.75 NPR1 (0.33)
SCHEMBL11126089 0.73 GAA (0.58) CYP2C9NPR3CYP2C19POLBSMN1; SMN2
SCHEMBL136694 0.71 GAA (0.68) CYP2C9NPR3CYP2C19POLBSMN1; SMN2
Propazine SCHEMBL11360696 0.71 GAA (0.68) CYP2C9NPR3CYP2C19POLBSMN1; SMN2
SCHEMBL29397416 0.71 GAA (0.68) CYP2C9NPR3CYP2C19POLBSMN1; SMN2
SCHEMBL4897086 0.71 GAA (0.68) CYP2C9NPR3CYP2C19POLBSMN1; SMN2
SCHEMBL9524249 0.70 MEN1 (0.47) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9274366 0.70 MEN1 (0.47) POLBSMN1; SMN2ALDH1A1MEN1KMT2A

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-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed