SCHEMBL2479828

SCHEMBL2479828

NS(=O)(=O)c1ccc(OCC2COCCO2)c([N+](=O)[O-])c1.OCC1COCCO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.43
LMNA P02545 1/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
MAPT P10636 3/20 0.40
BCL2 P10415 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PKM P14618 1/20 0.38
VCAM1 P19320 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM4 Q14833 1/20 0.36
ATM Q13315 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
SCHEMBL30467955 0.95 LMNA (0.45) P2RX4LMNACA2CA12CA1
SCHEMBL1700083 0.95 LMNA (0.45) P2RX4LMNACA2CA12CA1
SCHEMBL1700104 0.95 LMNA (0.45) P2RX4LMNACA2CA12CA1
SCHEMBL1699894 0.95 LMNA (0.45) P2RX4LMNACA2CA12CA1
SCHEMBL25306920 0.79 LMNA (0.44) LMNACA2CA12CA1CA9
SCHEMBL1957627 0.79 P2RX4 (0.53) P2RX4LMNACA2CA12CA1
SCHEMBL1700347 0.78 HTR2A (0.46) LMNACA2CA12CA1CA9
SCHEMBL1700056 0.77 LMNA (0.51) P2RX4LMNACA2CA12CA1
SCHEMBL28570751 0.77 LMNA (0.42) LMNACA2CA12CA1CA9
SCHEMBL1700726 0.75 HRH3 (0.46) LMNAMAPTBCL2ALDH1A1POLB

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-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed