SCHEMBL11205161

SCHEMBL11205161

CN(C(=O)C(C#N)(Sc1ccccc1)Sc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLQ O75417 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL11205751 0.86 DRD4 (0.41) KMT2AMEN1RAB9ANPSR1LMNA
SCHEMBL11268140 0.77 FFAR1 (0.36) KMT2ARAB9ANPSR1MGLLLMNA
SCHEMBL9576817 0.76 KMT2A (0.41) KMT2AMEN1RAB9ANPSR1FAAH
SCHEMBL11265046 0.75 MAPT (0.38) KMT2ALMNAL3MBTL1POLBALDH1A1
SCHEMBL29184041 0.71 KMT2A (0.40) KMT2AMEN1RAB9ANPSR1LMNA
SCHEMBL8946139 0.69 KMT2A (0.60) KMT2AMEN1RAB9ANPSR1FAAH
SCHEMBL11271178 0.69 TGM2 (0.43) KMT2AMEN1RAB9ANPSR1LMNA
SCHEMBL11202360 0.69 LMNA (0.36) KMT2AMEN1RAB9ALMNAPOLB
SCHEMBL14246912 0.68 KMT2A (0.48) KMT2AMEN1RAB9ANPSR1FAAH
SCHEMBL4746141 0.68 KMT2A (0.51) KMT2AMEN1RAB9ANPSR1FAAH

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
EP-0029719-B1 VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS MONSANTO COMPANY (US) 1983-02-16 EP disclosed
US-4342705-A CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-08-03 US disclosed
EP-0029719-A1 Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers MONSANTO COMPANY (US) 1981-06-03 EP disclosed
US-4271050-A Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers MONSANTO COMPANY (US) 1981-06-02 US disclosed