SCHEMBL31055062

SCHEMBL31055062

N#Cc1ccccc1-n1cc(CCl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 2/20 0.39
AXL P30530 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
ALKBH1 Q13686 1/20 0.34

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
SCHEMBL28299738 0.78 NOTUM (0.44)
SCHEMBL21877551 0.76 BRD4 (0.42) ERCC5FEN1KDM4EBRD4CREBBP
SCHEMBL20738212 0.76 KDM4E (0.46) ERCC5FEN1KDM4EBRD4CREBBP
SCHEMBL27748840 0.76 TDO2 (0.41) ERCC5FEN1KDM4EBRD4CREBBP
SCHEMBL30037628 0.76 DRD2 (0.49) KDM4EMEN1KMT2A
SCHEMBL23381882 0.76 CREBBP (0.41) ERCC5FEN1KDM4EBRD4CREBBP
SCHEMBL20162771 0.76 DRD2 (0.49) KDM4EMEN1KMT2A
SCHEMBL21484069 0.76 CREBBP (0.41) ERCC5FEN1KDM4EBRD4CREBBP
SCHEMBL2415047 0.76 P2RX7 (0.46) KDM4ETSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL27707043 0.74 P2RX7 (0.38) TSHRHTR1A

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
CN-114341131-B Novel oxadiazole compounds comprising 5-membered heteroaromatic rings for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-09-03 CN disclosed