SCHEMBL1874451

SCHEMBL1874451

C=CCN(C(=O)O)c1cccc(C(=O)Cc2ccncc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.31
PDE4B Q07343 1/20 0.31
LMNA P02545 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MAPK7 Q13164 1/20 0.30
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1127066 0.78 KDM4E (0.30)
SCHEMBL1127309 0.68
SCHEMBL1127174 0.67
SCHEMBL9329272 0.66 TSHR (0.44) ALDH1A1SMN1; SMN2CYP19A1GAAMAPT
SCHEMBL1127127 0.66 NPC1 (0.32) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7162154 0.65 TSHR (0.41) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11663103 0.65 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL11498178 0.64 TRPM8 (0.53) ALDH1A1SMN1; SMN2GAALMNAMEN1
SCHEMBL16233058 0.64 AKR1B1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL1554489 0.63 JAK2 (0.51) ALDH1A1SMN1; SMN2CYP19A1GAAMAPT

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-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed