SCHEMBL4413302

SCHEMBL4413302

CCOC(=N)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.58
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 2/20 0.53
RAF1 P04049 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.50
BRAF P15056 1/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
F2 P00734 1/20 0.48
DGAT1 O75907 1/20 0.48
PKM P14618 1/20 0.47

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
Hydrochloric Acid SCHEMBL5423626 0.99 VCAM1 (0.56) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL259511 0.86 CASP6 (0.53) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL260606 0.85 KMT2A (0.64) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL12229762 0.85 TSHR (0.59) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9081516 0.84 KMT2A (0.48) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL730927 0.83 VCAM1 (0.59) VCAM1ALDH1A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL1142710 0.82 KMT2A (0.47) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL1827529 0.82 LMNA (0.56) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1552568 0.81 LMNA (0.55) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL6284647 0.81 LMNA (0.58) VCAM1ALDH1A1LMNAMAPTMAPK1

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-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed