SCHEMBL11668271

SCHEMBL11668271

O=C(NC(C(=O)O)c1ccccc1)NN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FPR2 P25090 1/20 0.46
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR1 P25103 2/20 0.41

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
SCHEMBL11668181 0.84 FPR2 (0.47) SMN1; SMN2FPR2NAALAD2ALDH1A1KMT2A
SCHEMBL7298618 0.77 KMT2A (0.58) SMN1; SMN2FPR2CDK5CDK5R1CCNA2
SCHEMBL219620 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL11686408 0.72 SMN1; SMN2 (0.48) SMN1; SMN2GAAMAPTALDH1A1MEN1
SCHEMBL9194249 0.71 FPR2 (0.63) FPR2NAALAD2ALDH1A1
SCHEMBL7560104 0.71 CDK5 (0.47) SMN1; SMN2NPC1RAB9ACDK5CDK5R1
SCHEMBL9555238 0.70 ATM (0.58) GAAALDH1A1
SCHEMBL3955220 0.70 SMN1; SMN2 (0.71) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL633778 0.70 FPR2 (0.57) SMN1; SMN2FPR2NAALAD2ALDH1A1KMT2A
SCHEMBL303413 0.70 FPR2 (0.57) SMN1; SMN2FPR2NAALAD2ALDH1A1KMT2A

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed