SCHEMBL7784055

SCHEMBL7784055

CCN(CC)C(=O)c1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 6/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4A O75164 1/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
MLYCD O95822 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 2/20 0.35

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
SCHEMBL3636288 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4A
SCHEMBL8000172 0.74 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
Alcohol SCHEMBL5827276 0.73 HCAR2 (0.39) ALDH1A1MAPTL3MBTL1ALOX15KMT2A
SCHEMBL5285523 0.72 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL16573547 0.72 GABRA1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2HPGDALOX15
SCHEMBL3896577 0.71 CES2 (0.31)
SCHEMBL9957276 0.70 CNR1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2RAB9AHPGD
SCHEMBL5161156 0.70
Lithium Ion SCHEMBL29459175 0.70
SCHEMBL30844073 0.70

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
EP-1140865-A1 TRIAZOLE SULFONES HAVING HERBIDICIDAL ACTIVITY Monsanto Co. (US) 2001-10-10 EP disclosed
WO-2000042028-A1 TRIAZOLE SULFONES HAVING HERBICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2000-07-20 WO disclosed