SCHEMBL9735256

SCHEMBL9735256

CCC(C#N)(C(=O)O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BLM P54132 2/20 0.40
GAA P10253 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL701485 0.77 ALDH1A1 (0.41) L3MBTL1CYP3A4TSHRKMT2ACYP2D6
SCHEMBL7828236 0.76 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL6775828 0.75 PLCG1 (0.37) SMN1; SMN2GAAMEN1KMT2A
SCHEMBL25500507 0.74 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL3743980 0.74 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL15693459 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1BLMGAASLC22A2
SCHEMBL21246245 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1BLMGAASLC22A2
SCHEMBL13269728 0.73 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL9743183 0.72 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1GAATDP1MEN1
SCHEMBL1151512 0.72 L3MBTL1 (0.37) SMN1; SMN2L3MBTL1GAATSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164386-A Gastrointestinal and respiratory disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-11-17 US disclosed
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP disclosed