SCHEMBL7312332

SCHEMBL7312332

COc1cc(OC)cc(-c2nn[c]o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
CYP1B1 Q16678 6/20 0.41
CYP1A1 P04798 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2E1 P05181 3/20 0.38

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
SCHEMBL3621429 0.83 NOTUM (0.56) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL345944 0.81 NPC1 (0.51) RAB9AKMT2ASMN1; SMN2NPC1MAPT
SCHEMBL9637871 0.74 ALDH1A1 (0.59) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7303064 0.74 ALDH1A1 (0.55) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7310699 0.71 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2753803 0.70 CYP1A1 (0.44) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2954516 0.67 ALDH1A1 (0.79) CYP1B1CYP1A1ALDH1A1CYP1A2CYP2E1
SCHEMBL7223282 0.67 NPC1 (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2750754 0.67 CYP1B1 (0.46) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2750255 0.67 RAB9A (0.41) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed