SCHEMBL11573306

SCHEMBL11573306

COCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(NC(N)=O)cc3)[C@H]2SC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.68
▸ HSD17B10 Q99714 6/20 0.61
▸ MAPT P10636 6/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ SLC15A2 Q16348 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ SLC22A8 Q8TCC7 1/20 0.61
▸ ALDH1A1 P00352 7/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ BLM P54132 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ DRD2 P14416 1/20 0.57

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
SCHEMBL11573319 1.00 PTGS1 (0.68) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11399128 0.92 PTGS1 (0.81) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11575884 0.92 PTGS1 (0.81) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11575888 0.92 PTGS1 (0.81) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL10552674 0.90 MAPT (0.75) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL10552664 0.90 MAPT (0.75) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11574356 0.90 PTGS1 (0.66) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11574351 0.90 PTGS1 (0.66) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11231880 0.89 PTGS1 (0.83) PTGS1HSD17B10MAPTKMT2AMEN1
SCHEMBL11231884 0.89 PTGS1 (0.83) PTGS1HSD17B10MAPTKMT2AMEN1

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-4067977-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-10 — — US claimed
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