SCHEMBL7662415

SCHEMBL7662415

CCCONC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
RAB9A P51151 8/20 0.60
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
CASP3 P42574 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MAPK1 P28482 2/20 0.56
GLA P06280 1/20 0.56
PTK2 Q05397 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.51
ADRA2A P08913 1/20 0.51

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
SCHEMBL23539697 0.76 L3MBTL1 (0.79) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL19090370 0.74 TDP1 (0.73) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30008478 0.72 L3MBTL1 (0.91) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4113524 0.72 RAB9A (0.72) L3MBTL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5032454 0.72 L3MBTL1 (0.72) L3MBTL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1431137 0.72 PTK2 (1.00) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4687835 0.71 NPSR1 (0.65) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29538166 0.71 NPSR1 (0.65) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL24654650 0.71 L3MBTL1 (0.78) L3MBTL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL18286136 0.71 TDP1 (0.73) L3MBTL1RAB9ANPC1ALDH1A1SMN1; SMN2

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-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed