SCHEMBL22336233

SCHEMBL22336233

CN(C)C(=O)c1cnncc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KEAP1 Q14145 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ATR Q13535 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL10371575 0.80 KMT2A (0.65) SMN1; SMN2MEN1KMT2AKEAP1MAPK1
SCHEMBL22322535 0.80 HNF4A (0.50) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30463435 0.78 MEN1 (1.00) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL6677412 0.78 MEN1 (1.00) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
Hydrochloric Acid SCHEMBL20578422 0.77 MEN1 (0.96) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL30526771 0.76 MAP4K1 (0.47) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL7445918 0.75 MEN1 (0.86) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL8534623 0.74 GABRA1 (0.65) SMN1; SMN2MEN1KMT2AMAPK1ALDH1A1
Hydrogen Sulfide SCHEMBL28029146 0.74 MEN1 (0.83) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL3760398 0.72 MEN1 (0.74) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1

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
WO-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed