SCHEMBL30824455

SCHEMBL30824455

Cc1nc2c(F)cccc2cc1Oc1ccccc1CC(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.36
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ GUCY1B2 O75343 4/20 0.32
▸ GUCY1A2 P33402 4/20 0.32
▸ GUCY1A1 Q02108 4/20 0.32

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
SCHEMBL30422089 0.88 LMNA (0.33) LMNAPOLBMAPTSTAT3HTT
SCHEMBL20551083 0.82 LMNA (0.36) CXCL8SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL30563628 0.81 NR3C1 (0.36) CXCL8SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL28625749 0.80 FFAR1 (0.30) —
SCHEMBL23271477 0.78 GUCY1B2 (0.32) CARM1PRMT6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL28630877 0.78 LMNA (0.33) LMNAPOLBMAPTSTAT3HTT
SCHEMBL31576195 0.78 LMNA (0.33) LMNAPOLBMAPTSTAT3HTT
SCHEMBL18796118 0.76 LMNA (0.39) LMNAPOLBMAPTSTAT3HTT
SCHEMBL19484372 0.76 SMN1; SMN2 (0.34) LMNAPOLBMAPTSTAT3HTT
SCHEMBL19484248 0.75 SMN1; SMN2 (0.33) LMNAPOLBMAPTSTAT3HTT

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-117769551-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2024-03-26 — — CN disclosed
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