SCHEMBL8540726

SCHEMBL8540726

CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ TSHR P16473 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL6662176 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL8539769 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL15651765 0.78 TSHR (0.68) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL10157035 0.78 TSHR (0.56) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL11689995 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL11410309 0.75 KMT2A (0.59) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8542275 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL7243296 0.74 PKM (0.75) ALDH1A1TSHRKDM4EPKMPOLB
SCHEMBL1143451 0.74 POLB (0.72) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL9400292 0.74 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 — — EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 — — US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 — — EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 — — WO disclosed
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