SCHEMBL29360356

SCHEMBL29360356

Nc1nccn1CC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
ARG1 P05089 1/20 0.36
TP53 P04637 1/20 0.36
HBB P68871 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FGFR1 P11362 1/20 0.36
TYMP P19971 1/20 0.35
KCNH2 Q12809 4/20 0.34
GRIN2B Q13224 1/20 0.34
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB11 O95342 1/20 0.32
ADRA2B P18089 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21818255 0.77 TLR8 (0.46) TLR8ARG1TYMPKCNH2BRD4
SCHEMBL28113341 0.76 CYP1A2 (0.46) TP53HBBSMN1; SMN2FGFR1GRIN2B
Hydrochloric Acid SCHEMBL2436634 0.75 MEN1 (0.47) TP53HBBSMN1; SMN2GRIN2BBRD4
SCHEMBL23458283 0.75 FGFR1 (0.35) ARG1TP53HBBSMN1; SMN2FGFR1
SCHEMBL4846610 0.74 TP53 (0.37) TP53HBBSMN1; SMN2FGFR1GRIN2B
SCHEMBL23586776 0.73 TLR8 (0.42) TLR8ARG1TYMPKCNH2
SCHEMBL8897393 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2TYMPGRIN2B
SCHEMBL8855488 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2TYMPGRIN2B
SCHEMBL1614716 0.71 KMT2A (0.47) TP53HBBSMN1; SMN2TYMPGRIN2B
SCHEMBL27474143 0.70 GRIN2B (0.45) GRIN2BBRD4CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341256-A1 NEW SUBSTITUTED PYRIDINES AS FUNGICIDES BASF SE (DE) 2024-03-27 EP disclosed
EP-4341258-A1 NEW SUBSTITUTED PYRIDINES AS FUNGICIDES BASF SE (DE) 2024-03-27 EP disclosed
WO-2022243111-A1 NEW SUBSTITUTED PYRIDINES AS FUNGICIDES BASF SE (DE) 2022-11-24 WO disclosed
WO-2022243107-A1 NEW SUBSTITUTED PYRIDINES AS FUNGICIDES BASF SE (DE) 2022-11-24 WO disclosed
WO-2022017836-A1 FUNGICIDAL COMPOSITIONS COMPRISING (R)-2-[4-(4-CHLOROPHENOXY)-2-(TRIFLUOROMETHYL)PHENYL]-1- (1,2,4-TRIAZOL-1-YL)PROPAN-2-OL BASF Agro B.V. (NL) 2022-01-27 WO disclosed