SCHEMBL7438517

SCHEMBL7438517

O=C1CN(C23CC4CC(CC(C4)C2)C3)C(=O)N1C(S)CCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 2/20 0.35
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B2 P37059 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL7438774 0.80 HSD11B1 (0.35) GAAMAPK1SMN1; SMN2HSD11B1P2RX7
SCHEMBL7438509 0.79 CPA3 (0.37) HSD11B1POLBMAPTOPRK1ALDH1A1
SCHEMBL7432468 0.77 HSD11B1 (0.46) GAAMAPK1SMN1; SMN2HSD11B1EPHX2
SCHEMBL7431861 0.76 CNR2 (0.33) GAANPC1POLBMEN1KMT2A
SCHEMBL7432509 0.75 TSHR (0.33) GAAPOLBMEN1KMT2AUSP2
SCHEMBL7426794 0.74 POLB (0.37) GAAMAPK1POLBMEN1KMT2A
SCHEMBL7432645 0.74 ENPP2 (0.47) GAASMN1; SMN2EPHX2POLBMEN1
SCHEMBL7435831 0.72 ACHE (0.40) GAAPOLBMEN1KMT2AUSP2
SCHEMBL7425893 0.72 KMT2A (0.44) SMN1; SMN2HSD11B1RAB9APOLBMEN1
SCHEMBL7442890 0.71 ACE (0.40) GAAMAPK1SMN1; SMN2NPC1RAB9A

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