SCHEMBL8895665

SCHEMBL8895665

CC(C)[C@H](N)C(=O)Nc1ccc(Cl)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
ROCK2 O75116 2/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL28570981 0.86 KMT2A (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL28570980 0.86 KMT2A (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL18119752 0.84 KMT2A (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL8895279 0.82 ROCK2 (0.49) KMT2ACA12CA1CA2CA9
SCHEMBL8895275 0.82 ROCK2 (0.49) KMT2ACA12CA1CA2CA9
SCHEMBL19232114 0.79 ALDH1A1 (0.64) KMT2ACA12CA1CA2CA9
SCHEMBL19707984 0.79 KMT2A (0.66) KMT2ACA12CA1CA2CA9
SCHEMBL19987418 0.78 ALDH1A1 (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL10403114 0.77 SMN1; SMN2 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL11435364 0.76 KMT2A (0.58) KMT2ACA12CA1CA2CA9

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-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
WO-1994014817-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-07 WO disclosed