SCHEMBL10798902

SCHEMBL10798902

Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ALDH1A1 P00352 6/20 0.58
HTT P42858 4/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 1/20 0.55
PKM P14618 4/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL10798672 0.84 POLB (0.56) LMNAALDH1A1HTTPOLBATM
SCHEMBL10795453 0.82 ALDH1A1 (0.57) LMNAALDH1A1HTTPOLBPKM
SCHEMBL7079602 0.80 ALDH1A1 (0.64) LMNAALDH1A1HTTPOLBATM
SCHEMBL10799303 0.80 LMNA (0.59) LMNAALDH1A1HTTPOLBATM
SCHEMBL1807274 0.79 MGLL (0.64) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL29256038 0.79 NPC1 (0.67) LMNAALDH1A1HTTPOLBPKM
SCHEMBL266385 0.79 LMNA (1.00) LMNAALDH1A1HTTPOLBATM
SCHEMBL28882522 0.77 ALDH1A1 (0.66) LMNAALDH1A1HTTPOLBPKM
SCHEMBL266466 0.77 MEN1 (0.77) LMNAALDH1A1HTTPOLBPKM
SCHEMBL14501613 0.77 HTR2A (0.58) ALDH1A1HTTPOLBPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP disclosed