SCHEMBL6880705

SCHEMBL6880705

NCC1(CS(=O)(=O)O)CCCC1.NCC1(CS(N)(=O)=O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5386734 0.92 LMNA (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5384819 0.90 LMNA (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1333638 0.90 LMNA (0.50) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5381314 0.90 USP2 (0.43) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5388503 0.88 USP2 (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5388115 0.88 USP2 (0.47) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7174675 0.87 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7249850 0.77 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL9207799 0.75 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7255438 0.74 APP (0.32) USP2ALDH1A1LMNACYP1A2TSHR

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-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP disclosed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 WO disclosed