SCHEMBL11388929

SCHEMBL11388929

Cn1ccn(-c2ccc([S+]([O-])c3ccccc3Cl)c(Cl)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.39
▸ SLC9A3 P48764 1/20 0.34
▸ DRD2 P14416 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL31196427 0.70 CYP11B2 (0.43) PAK1
SCHEMBL12362749 0.70 ALDH1A1 (0.37) PAK1SLC9A3DRD2MEN1ALDH1A1
SCHEMBL7133435 0.68 GSK3A (0.48) SLC9A3SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5085586 0.67 TSHR (0.50) SMN1; SMN2ALDH1A1
SCHEMBL16269520 0.64 RAB9A (0.36) SMN1; SMN2MEN1KMT2A
SCHEMBL30931108 0.64 ALOX5 (0.42) SLC9A3SMN1; SMN2ALDH1A1
SCHEMBL20596412 0.63 DRD2 (0.45) DRD2SMN1; SMN2MEN1KMT2ADRD3
SCHEMBL11390024 0.63 HSP90AA1 (0.41) SLC9A3SMN1; SMN2MEN1KMT2A
SCHEMBL17664675 0.63 RGS4 (0.47) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL11401372 0.62 PDE3B (0.40) PAK1SLC9A3SMN1; SMN2ALDH1A1

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
US-4279637-A Herbicidal N-substituted 4-imidazolin-2-ones VELSICOL CHEMICAL CORPORATION (US) 1981-07-21 — — US disclosed
Send feedback