SCHEMBL6527741

SCHEMBL6527741

CNC1OCN(c2ccc(Cl)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.45
AR P10275 1/20 0.43
PTGS2 P35354 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL6512656 0.81 CYP1A2 (0.44) SMN1; SMN2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL6508760 0.78 CA12 (0.45) ARSMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL6508357 0.77 IDO1 (0.31)
SCHEMBL6512004 0.77 NOTUM (0.46) NOTUMARPTGS2SMN1; SMN2MEN1
SCHEMBL6509504 0.77 NOTUM (0.51) NOTUMARCYP2D6CYP2C19
SCHEMBL6507723 0.73 DRD2 (0.42) NOTUM
SCHEMBL8103236 0.69 NOTUM (0.43) NOTUMAR
SCHEMBL4085823 0.68 AR (0.48) NOTUMARSMN1; SMN2TSHR
SCHEMBL4085825 0.68 AR (0.48) NOTUMARSMN1; SMN2TSHR
SCHEMBL8098716 0.68 NOTUM (0.45) NOTUMAR

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-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed