SCHEMBL21782902

SCHEMBL21782902

CCCC(=O)Nc1ccc(C)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 3/20 0.59
RAB9A P51151 6/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.58
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 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
MAPKAPK2 P49137 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL20037624 0.87 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTNPC1GAA
SCHEMBL19151154 0.86 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL22540339 0.82 SMN1; SMN2 (0.57) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL1428750 0.81 MAPT (0.65) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL18653618 0.81 NPSR1 (0.50) SMN1; SMN2MAPTLMNAKDM4ECA1
SCHEMBL4531127 0.80 MAPT (0.68) SMN1; SMN2RAB9AMAPTNPC1GAA
SCHEMBL18653619 0.80 CA1 (0.50) SMN1; SMN2RAB9AMAPTNPC1GAA
SCHEMBL19002813 0.80 MEN1 (0.71) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL19154287 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TP53RAB9AMAPTNPC1
SCHEMBL19116341 0.79 PTPN1 (0.67) SMN1; SMN2RAB9AMAPTNPC1GAA

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
EP-3402783-B1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed