SCHEMBL20184272

SCHEMBL20184272

C[C@@H]1CO[C@@H](CCNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CO1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 20/20 0.82
▸ BCL2L1 Q07817 2/20 0.81
▸ MCL1 Q07820 2/20 0.81
▸ BCL2L2 Q92843 2/20 0.81
▸ NSD2 O96028 1/20 0.81
▸ ADORA3 P0DMS8 1/20 0.81
▸ CYP2C9 P11712 1/20 0.81
▸ ADRA2C P18825 1/20 0.81
▸ SLC6A2 P23975 1/20 0.81
▸ BID P55957 1/20 0.81
▸ SLC6A3 Q01959 1/20 0.81
▸ ASPH Q12797 1/20 0.81
▸ BAD Q92934 1/20 0.81
▸ NSD1 Q96L73 1/20 0.81
▸ NSD3 Q9BZ95 1/20 0.81
▸ HDAC1 Q13547 3/20 0.80
▸ HDAC6 Q9UBN7 3/20 0.80
▸ TMEM97 Q5BJF2 1/20 0.79

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
SCHEMBL16038361 0.95 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16039937 0.95 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16038850 0.95 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19419617 0.92 BCL2 (0.92) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL28621314 0.92 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL30313906 0.92 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1699820 0.92 BCL2 (0.88) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16037608 0.91 BCL2 (0.93) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL19503859 0.91 BCL2 (0.87) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16037650 0.91 BCL2 (0.85) BCL2BCL2L1MCL1BCL2L2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970257-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-05-30 — — EP disclosed
Send feedback