SCHEMBL7442890

SCHEMBL7442890

O=C1CN(C2Cc3ccccc3C2)C(=O)N1C(S)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.40
ADORA2A P29274 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
HSD17B2 P37059 1/20 0.36
MME P08473 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL7425893 0.86 KMT2A (0.44) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7432535 0.85 HSD11B1 (0.45) HTTSMN1; SMN2MEN1KMT2A
SCHEMBL7432468 0.79 HSD11B1 (0.46) HSD17B2POLBGAAHTTMAPK1
SCHEMBL7442881 0.78 ADORA2A (0.38) ACEADORA2ASIGMAR1MMESMN1; SMN2
SCHEMBL7432645 0.76 ENPP2 (0.47) POLBGAAHTTSMN1; SMN2MEN1
SCHEMBL7426794 0.73 POLB (0.37) HSD17B2POLBGAAHTTMAPK1
SCHEMBL7428792 0.72 CYP2D6 (0.45) ACEMMEPOLBKMT2A
SCHEMBL7436715 0.72 SIGMAR1 (0.37) ACESIGMAR1POLBGAAHTT
SCHEMBL7445702 0.72 ACHE (0.40) HSD17B2POLBGAAHTTSMN1; SMN2
SCHEMBL7435831 0.72 ACHE (0.40) ACEHSD17B2POLBGAAHTT

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