SCHEMBL4450651

SCHEMBL4450651

CCOC(=O)c1cccc(CC#N)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC25B P30305 3/20 0.42
POLB P06746 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
SCHEMBL4324495 0.87 ALDH1A1 (0.47) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL29196257 0.85 TSHR (0.59) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL11247916 0.84 TSHR (0.62) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL23879261 0.82 MRGPRX4 (0.49) TSHRMAPTALDH1A1HSD17B10USP2
SCHEMBL30452297 0.82 MRGPRX4 (0.49) TSHRMAPTALDH1A1HSD17B10USP2
SCHEMBL23773427 0.82 TSHR (0.68) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL17083285 0.81 TSHR (0.54) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL29196223 0.81 TSHR (0.54) TSHRMAPTLMNAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL17077453 0.80 TSHR (0.53) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL17077586 0.80 TSHR (0.53) TSHRMAPTLMNAALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027123-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-02-25 EP disclosed
WO-2007134259-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-11-22 WO disclosed