SCHEMBL7711370

SCHEMBL7711370

CCCC1Oc2ccc(C(c3cccs3)N(C)C(=O)OC(C)(C)C)cc2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 4/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 2/20 0.34
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7713262 0.93 USP2 (0.37) L3MBTL1USP2GAAHSD17B10ALOX15
SCHEMBL7711398 0.91
SCHEMBL7711431 0.87 PARP1 (0.37) USP2GAAHSD17B10ALOX15
SCHEMBL7708246 0.86
SCHEMBL7708101 0.81
SCHEMBL7710993 0.78 KDM4E (0.30)
SCHEMBL7704892 0.78
SCHEMBL7708337 0.77 ALDH1A1 (0.30)
SCHEMBL6991124 0.77 L3MBTL1 (0.41) L3MBTL1USP2GAAHSD17B10MAPK1
SCHEMBL7711412 0.74 PARP1 (0.39) USP2GAAHSD17B10ALOX15

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
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed