SCHEMBL6794293

SCHEMBL6794293

CN1C2CCC1CC(NC(N)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR4 Q13639 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL9366512 1.00 MEN1 (0.51) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL7397644 0.92 ALDH1A1 (0.49) MEN1KMT2AALDH1A1
SCHEMBL7397643 0.92 ALDH1A1 (0.49) MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL7395703 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL9730026 0.82 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL2612622 0.82 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL9730018 0.82 MEN1 (0.53) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL10165810 0.80 LMNA (0.45) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL6794288 0.80 MEN1 (0.51) MEN1KMT2AL3MBTL1LMNACYP2C9
SCHEMBL6799689 0.79 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422846-B1 Aroyl-ureas WYETH JOHN & BROTHER LTD (GB) 1994-02-16 EP claimed
EP-0422846-A2 Aroyl-ureas JOHN WYETH & BROTHER LIMITED (GB) 1991-04-17 EP claimed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP claimed
US-6734306-B2 USEFUL IN THE TREATMENT OF INFLAMMATION, ASTHMA, ALLERGIC RHINITIS, PAIN OR THE LIKE PFIZER, INC. 2004-05-11 US disclosed
EP-1213289-A1 N-benzenesulfonyl L-proline compounds as bradykinin antagonists PFIZER INC. (US) 2002-06-12 EP disclosed
EP-0422846-B1 Aroyl-ureas WYETH JOHN & BROTHER LTD (GB) 1994-02-16 EP disclosed
EP-0422846-A2 Aroyl-ureas JOHN WYETH & BROTHER LIMITED (GB) 1991-04-17 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed