SCHEMBL6154440

SCHEMBL6154440

CCOC(=O)c1cn(CC(C)C)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
NR1H2 P55055 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DCTPP1 Q9H773 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
TEAD2 Q15562 1/20 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
SCHEMBL17437947 0.87 TSHR (0.42) TSHRALDH1A1MAPTCA12CA1
SCHEMBL6156337 0.86 ALDH1A1 (0.43) ALDH1A1MAPTCA12CA1CA2
SCHEMBL27086400 0.85 TSHR (0.40) TSHRALDH1A1MAPTNR1H2CA12
SCHEMBL23273647 0.84 L3MBTL1 (0.47) TSHRALDH1A1MAPTKDM4ENPC1
SCHEMBL2089856 0.82 KDM4E (0.46) TSHRALDH1A1MAPTKDM4ENPC1
SCHEMBL6155749 0.81 ACHE (0.40) ALDH1A1SMN1; SMN2L3MBTL1HSD17B10GAA
SCHEMBL27634513 0.81 ACHE (0.40) TSHRALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL6971478 0.80 ACHE (0.39) ALDH1A1L3MBTL1
SCHEMBL573457 0.78 ADORA3 (0.51) TSHRALDH1A1MAPTNR1H2KDM4E
SCHEMBL3267578 0.77 TSHR (0.50) TSHRALDH1A1MAPTKDM4ENPC1

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-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed