SCHEMBL7909462

SCHEMBL7909462

CCCC1CCN(S(=O)(=O)Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL4508419 0.85 ALDH1A1 (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4486230 0.83 ALDH1A1 (0.47) ALDH1A1ATMTP53L3MBTL1OPRL1
SCHEMBL13560163 0.77 ALDH1A1 (0.50) ALDH1A1ATMTP53L3MBTL1
SCHEMBL13560165 0.76 ALDH1A1 (0.41) ALDH1A1ATMTP53L3MBTL1
SCHEMBL30396227 0.75 ALDH1A1 (0.39) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL27539109 0.75 SAT1 (0.40) ALDH1A1LMNAGNAI3GNAO1GNAI1
SCHEMBL5255592 0.75 LMNA (0.68) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL18985998 0.73 ALDH1A1 (0.38) ALDH1A1LMNATP53MAPT
SCHEMBL13598984 0.72 ALDH1A1 (0.53) ALDH1A1ATMLMNAGNAI3GNAO1
SCHEMBL29252957 0.72 GNAI3 (0.46) ALDH1A1ATMHRH3GNAI3GNAO1

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
US-6194438-B1 ANTITUMOR AGENTS; ANTICANCER AGENTS; FARNESYL-PROTEIN TRANSFERASE INHIBITOR PFIZER INC. 2001-02-27 US disclosed
EP-1006113-A1 Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use to inhibit abnormal cell growth Pfizer Products Inc. (US) 2000-06-07 EP disclosed