SCHEMBL11140837

SCHEMBL11140837

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(OC)CS[C@@H]12)c1csc(NC(=O)CCl)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.60
▸ HTR2C P28335 1/20 0.60
▸ MAPT P10636 3/20 0.58
▸ PPARG P37231 2/20 0.58
▸ SLC22A6 Q4U2R8 2/20 0.58
▸ SLC22A8 Q8TCC7 2/20 0.58
▸ SLC22A11 Q9NSA0 2/20 0.58
▸ ALB P02768 1/20 0.58
▸ PGR P06401 3/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ TDP1 Q9NUW8 6/20 0.51
▸ APEX1 P27695 3/20 0.51
▸ ABCC4 O15439 2/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL11140834 1.00 NR1I2 (0.60) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10694596 0.90 NR1I2 (0.65) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10737124 0.90 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11144280 0.90 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11053023 0.90 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10737115 0.90 NR1I2 (0.76) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11144275 0.90 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10362945 0.90 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10418547 0.88 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10418546 0.88 NR1I2 (0.58) NR1I2HTR2CMAPTPPARGSLC22A6

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-4380541-A 2-AMINO THIAZOL-4-YL- TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-04-19 — — US disclosed
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