SCHEMBL2506487

SCHEMBL2506487

O=C(c1ccccc1)N(Oc1cc2cc[nH]c2cc1F)S(=O)(=O)c1ccc(NC2CCC(NC3CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 17/20 0.42
HCAR3 P49019 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL1960829 0.82 BCL2 (0.41) BCL2
SCHEMBL2506488 0.80 BCL2 (0.57) BCL2
SCHEMBL3419072 0.80 BCL2 (0.42) BCL2
SCHEMBL2480796 0.76 BCL2 (0.45) BCL2
SCHEMBL2507853 0.75 ALDH3A1 (0.42)
SCHEMBL1956186 0.75 BCL2 (0.49) BCL2
SCHEMBL1954915 0.74 BCL2 (0.43) BCL2
SCHEMBL2503120 0.74 BCL2 (0.63) BCL2
SCHEMBL1958128 0.73 BCL2 (0.38) BCL2HCAR3
SCHEMBL3398580 0.69 ALDH3A1 (0.39) BCL2HCAR3MEN1LMNAKMT2A

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-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP claimed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO claimed