SCHEMBL6683811

SCHEMBL6683811

CCOC(=O)c1ccccc1N(C)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL27946424 0.88 TSHR (0.61) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2636255 0.79 KDM4E (0.46) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL29387070 0.79 TSHR (0.69) TSHRALDH1A1HSD17B10MAPK1TP53
SCHEMBL180024 0.79 TSHR (0.69) TSHRALDH1A1HSD17B10MAPK1TP53
Ammonia Solution, Strong SCHEMBL10715942 0.77 TSHR (0.67) TSHRALDH1A1HSD17B10MAPK1NPSR1
SCHEMBL6684555 0.77 P2RX7 (0.45) TSHRALDH1A1HSD17B10MAPK1TP53
SCHEMBL27696491 0.77 TSHR (0.53) TSHRALDH1A1HSD17B10MAPK1NPSR1
SCHEMBL1479235 0.77 TSHR (0.61) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6014497 0.76 TSHR (0.49) TSHRALDH1A1HSD17B10MAPK1NPSR1
SCHEMBL31126854 0.75 TSHR (0.62) TSHRALDH1A1HSD17B10NPSR1MEN1

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
WO-2004052280-A2 ANTI-ANGIOGENIC COMPOUNDS AND THEIR USE IN CANCER TREATMENT IMCLONE SYSTEMS INCORPORATED (US) 2004-06-24 — — WO disclosed
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