SCHEMBL14614752

SCHEMBL14614752

CNCCCNC(=O)c1ccc(C)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MMP13 P45452 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.52
TDP1 Q9NUW8 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
SCHEMBL14679165 0.96 L3MBTL1 (0.73) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL1107141 0.89 LMNA (0.73) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL13165401 0.89 ALDH1A1 (0.63) L3MBTL1POLBNPC1RAB9AALDH1A1
SCHEMBL19133523 0.87 LMNA (0.71) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL9489979 0.87 L3MBTL1 (0.86) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL11220601 0.85 LMNA (0.85) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL21078243 0.84 LMNA (0.67) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL9510043 0.84 ALDH1A1 (0.54) L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6207746 0.84 L3MBTL1 (0.70) L3MBTL1LMNAPOLBKMT2AMEN1
SCHEMBL178367 0.84 L3MBTL1 (0.87) L3MBTL1LMNAPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021099793-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2021-05-27 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 EP disclosed