SCHEMBL6935836

SCHEMBL6935836

N[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.46
METAP1 P53582 8/20 0.46
DPEP1 P16444 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
OPRD1 P41143 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL6939040 0.85 METAP2 (0.46) METAP2METAP1HDAC3RAB9A
SCHEMBL6563124 0.83 METAP2 (0.50) METAP2METAP1DPEP1HDAC3HDAC1
SCHEMBL6938795 0.82 METAP2 (0.64) METAP2METAP1
SCHEMBL6938170 0.81 METAP2 (0.49) METAP2METAP1KMT2A
SCHEMBL6564599 0.80 METAP2 (0.64) METAP2METAP1RAB9ANPC1
SCHEMBL6564589 0.77 METAP2 (0.49) METAP2METAP1HDAC1KMT2AATM
SCHEMBL6564663 0.77 METAP2 (0.50) METAP2METAP1RAB9ANPC1
SCHEMBL6937320 0.77 METAP2 (0.52) METAP2METAP1KMT2A
SCHEMBL6484295 0.76 METAP2 (0.69) METAP2METAP1DPEP1HDAC3HDAC1
SCHEMBL6938260 0.76 PDK1 (0.45) 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