SCHEMBL6937622

SCHEMBL6937622

CCSCC[C@@H](N)C(O)C(=O)c1cc(C(=O)NN)ccn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 19/20 0.50
METAP1 P53582 11/20 0.50
KDM4E B2RXH2 1/20 0.35
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6932837 0.80 METAP2 (0.46) METAP2METAP1
SCHEMBL7074810 0.76 METAP2 (0.45) METAP2METAP1
SCHEMBL6939438 0.74 METAP2 (0.55) METAP2METAP1KDM4E
SCHEMBL6942550 0.73 METAP2 (0.48) METAP2METAP1
SCHEMBL6937329 0.72 METAP2 (0.47) METAP2METAP1
SCHEMBL4002804 0.72 KDM4E (0.45) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL6477367 0.71 METAP2 (0.67) METAP2METAP1
SCHEMBL6476415 0.71 METAP2 (0.64) METAP2METAP1KDM4E
SCHEMBL7171815 0.70 KDM4E (0.57) KDM4EMPOCYP1A2CYP3A4ADORA3
SCHEMBL6938548 0.70 METAP2 (0.50) 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 disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed