SCHEMBL23352009

SCHEMBL23352009

C=NN1CCC(C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
CHRM1 P11229 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL509608 0.76 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL7428953 0.73 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL5074242 0.73 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL4757619 0.73 GAA (0.53) SMN1; SMN2GAAALDH1A1TDP1KDM4E
SCHEMBL5707155 0.73 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL274448 0.71 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL14421937 0.71 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL13116870 0.71 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL7358278 0.71 GAA (0.57) SMN1; SMN2GAAALDH1A1TDP1KDM4E
SCHEMBL11039671 0.71 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1CYP3A4MEN1

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-3819298-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT Oncopharmatech Inc. (KR) 2021-05-12 EP disclosed