SCHEMBL7444733

SCHEMBL7444733

O=C1CN(N2CCOCC2)C(=O)N1C(S)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
FKBP1A P62942 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 3/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 2/20 0.34
CTSS P25774 3/20 0.34
ABCB1 P08183 2/20 0.34
CYP2C19 P33261 1/20 0.33
USP2 O75604 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
SCHEMBL7436715 0.88 SIGMAR1 (0.37) POLBSIGMAR1MEN1KMT2AMAPT
SCHEMBL7444723 0.79 CPA3 (0.38) ALDH1A1TSHRFKBP1ALMNAPOLB
SCHEMBL7432645 0.75 ENPP2 (0.47) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL7435831 0.73 ACHE (0.40) ALDH1A1TSHRPOLBACHEMEN1
SCHEMBL7426794 0.73 POLB (0.37) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7440468 0.72 POLB (0.37) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL7428792 0.72 CYP2D6 (0.45) POLBKMT2ACYP2C19
SCHEMBL7445702 0.71 ACHE (0.40) ALDH1A1TSHRPOLBACHEMEN1
SCHEMBL7425893 0.71 KMT2A (0.44) ALDH1A1TSHRLMNAPOLBMEN1
SCHEMBL7438517 0.71 GAA (0.35) ALDH1A1TSHRPOLBSIGMAR1MEN1

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed