SCHEMBL11249563

SCHEMBL11249563

N#CC1(CNC(=O)C(Cl)Cl)C=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1A3 P47895 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
SCHEMBL11256936 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11247830 0.80
SCHEMBL31696082 0.66 ALOX15 (0.31)
SCHEMBL3673198 0.63 NPC1 (0.33)
SCHEMBL11039996 0.63 ALDH1A2 (0.46) ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL7515850 0.61
SCHEMBL28382630 0.60
SCHEMBL28473021 0.60
SCHEMBL11038280 0.60 ALDH1A2 (0.42) ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL22041679 0.60 CYP11B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed