Sugi Predict

Sugi Predict / Compounds / SCHEMBL2724020

SCHEMBL2724020

SCHEMBL2724020

CN1CCC(Nc2ccc(S(=O)(=O)c3cccc(C(N)=O)c3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.45
▸ BCL2L1 Q07817 12/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL2725535 0.93 BCL2 (0.49) BCL2BCL2L1
SCHEMBL2723940 0.93 BCL2 (0.49) BCL2BCL2L1
SCHEMBL2724331 0.91 BCL2 (0.55) BCL2BCL2L1
SCHEMBL2724230 0.91 BCL2 (0.47) BCL2BCL2L1
SCHEMBL2725668 0.90 BCL2 (0.51) BCL2BCL2L1CYP2C9
SCHEMBL2727803 0.89 BCL2 (0.47) BCL2BCL2L1CYP2C9
SCHEMBL1870532 0.89 BCL2 (0.41) BCL2BCL2L1CYP2C9
SCHEMBL1870158 0.88 BCL2 (0.45) BCL2BCL2L1
SCHEMBL30622019 0.88 BCL2 (0.50) BCL2BCL2L1
SCHEMBL1871425 0.88 BCL2 (0.50) BCL2BCL2L1

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-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 — — EP claimed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 — — WO claimed