SCHEMBL6941281

SCHEMBL6941281

CC(C)SCC[C@@H](N)C(O)C(=O)N(N)C(=O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 12/20 0.48
METAP1 P53582 10/20 0.48
PARP1 P09874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL6563437 0.82 METAP2 (0.44) METAP2METAP1
SCHEMBL6489121 0.78 METAP2 (0.77) METAP2METAP1SMN1; SMN2
SCHEMBL6564913 0.77 METAP2 (0.53) METAP2METAP1ALDH1A1
SCHEMBL6562847 0.75 METAP2 (0.48) METAP2METAP1
SCHEMBL6563040 0.75 METAP2 (0.47) METAP2METAP1RAB9A
SCHEMBL6940254 0.72 METAP2 (0.52) METAP2METAP1L3MBTL1
SCHEMBL6937951 0.72 METAP2 (0.46) METAP2METAP1TSHR
SCHEMBL7308710 0.72 METAP2 (0.64) METAP2METAP1
SCHEMBL6563403 0.70 METAP2 (0.42) METAP2METAP1
SCHEMBL6937335 0.70 METAP2 (0.46) METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP claimed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO claimed