SCHEMBL20960686

SCHEMBL20960686

CC1CC(C)(C)CCCN1S(=O)(=O)c1ccc(Cl)c2nonc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CHRM4 P08173 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 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
SCHEMBL5286862 0.78 LMNA (0.43) LMNATDP1ALDH1A1POLBKMT2A
SCHEMBL12309230 0.75 ALDH1A1 (0.52) LMNATDP1ALDH1A1KMT2ANPC1
SCHEMBL5282272 0.70 TSHR (0.51) LMNATDP1ALDH1A1POLBKMT2A
SCHEMBL5286887 0.70 POLB (0.56) LMNATDP1ALDH1A1POLBKMT2A
SCHEMBL4745416 0.68 LMNA (0.39) LMNATDP1ALDH1A1POLBNLRP3
SCHEMBL18711645 0.66 ALDH1A1 (0.55) LMNATDP1ALDH1A1KMT2ANPC1
SCHEMBL20960741 0.66 POLB (0.50) LMNATDP1ALDH1A1POLBKMT2A
SCHEMBL19391630 0.65 RORA (0.46) LMNATDP1ALDH1A1ALOX15POLB
SCHEMBL4785395 0.65 MAPT (0.55) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL5297518 0.65 NPC1 (0.45) LMNATDP1ALDH1A1POLBKMT2A

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-2188293-B1 6-SUBSTITUTED SULFONYL AZABICYCLOÝ3.2.1¨OCTANES USEFUL TO INHIBIT 11 -HYDROXYSTEROID DEHYDROGENASE TYPE-1 MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed