SCHEMBL30714954

SCHEMBL30714954

CN=NC(=O)c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ RHEB Q15382 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ EDNRA P25101 1/20 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
SCHEMBL30166535 0.76 ACHE (0.34) SMN1; SMN2GAARAB9AMEN1KMT2A
SCHEMBL20920141 0.76 ACHE (0.34) SMN1; SMN2GAARAB9AMEN1KMT2A
SCHEMBL28529383 0.75 RAB9A (0.35) SMN1; SMN2GAANPC1RAB9AMEN1
SCHEMBL22928 0.75 DHFR (0.36) SMN1; SMN2GAANPC1MEN1KMT2A
SCHEMBL22531 0.73 HTT (0.39) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL30807953 0.70 BRAF (0.31) —
SCHEMBL28574538 0.68 L3MBTL1 (0.36) SMN1; SMN2GAANPC1MEN1KMT2A
SCHEMBL15022386 0.68 DRD1 (0.32) —
SCHEMBL29367933 0.68 DRD1 (0.32) —
SCHEMBL16417051 0.68 DRD1 (0.32) —

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-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 — — CN disclosed
Send feedback