SCHEMBL14085366

SCHEMBL14085366

COC(=O)C1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
VCAM1 P19320 1/20 0.50
RAF1 P04049 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL4812903 0.81 KDM4E (0.47) LMNAALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL13753629 0.80 VCAM1 (0.57) LMNAALDH1A1MAPTHPGDVCAM1
SCHEMBL14110006 0.80 ALDH1A1 (0.47) LMNAALDH1A1MAPTMAPK1HPGD
SCHEMBL1811403 0.78 DGAT2 (0.47) ALDH1A1MAPT
SCHEMBL19075733 0.78 TTR (0.48) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6866237 0.76 VCAM1 (0.62) LMNAALDH1A1MAPTMAPK1HPGD
SCHEMBL1812523 0.74 DGAT2 (0.44) MAPTSMN1; SMN2PKM
SCHEMBL51755 0.74 LMNA (0.72) LMNAALDH1A1MAPTMAPK1HPGD
SCHEMBL7973732 0.74 VCAM1 (0.68) LMNAALDH1A1MAPTMAPK1HPGD
SCHEMBL16710209 0.73 L3MBTL1 (0.57) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed