SCHEMBL7067692

SCHEMBL7067692

C=C(C(=O)OC)c1ccc(-c2ccc3c(N)noc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
LTB4R Q15722 1/20 0.39
F9 P00740 1/20 0.38
KLKB1 P03952 2/20 0.35
F11 P03951 3/20 0.35
KIT P10721 3/20 0.34
KDR P35968 3/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
JAK2 O60674 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL29652456 0.76 MAPT (0.51) MAPK14LCKLTB4RTP53MAPT
SCHEMBL6089216 0.76 MAPT (0.51) MAPK14LCKLTB4RTP53MAPT
Hydrochloric Acid SCHEMBL6089209 0.75 MAPT (0.50) MAPK14LCKLTB4RTP53MAPT
SCHEMBL5057415 0.70 ALDH1A1 (0.46) MAPT
SCHEMBL16149782 0.69 HDAC4 (0.56) MAPK14ABL1BCRJAK2
SCHEMBL27483625 0.69 CA12 (0.52) ABL1BCRMAPTRAB9A
SCHEMBL8894615 0.69 SMN1; SMN2 (0.52) MAPTRAB9ASMN1; SMN2
SCHEMBL8003997 0.69 MAPK14 (0.40) MAPK14F9F11MAPTRAB9A
SCHEMBL20013249 0.69 LMNA (0.44) TP53MAPTRAB9ASMN1; SMN2
SCHEMBL9212282 0.69 F9 (0.45) MAPK14LCKCSF1RF9KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135023-A4 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF LILLY CO ELI (US) 2003-03-05 EP disclosed
EP-1135023-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2001-09-26 EP disclosed
WO-2000027199-A1 AMINOBENZISOXAZOLE COMPOUNDS AND LIBRARIES THEREOF ELI LILLY AND COMPANY (US) 2000-05-18 WO disclosed
WO-2000027627-A1 ARYLOXIME LINKERS IN THE SOLID-PHASE SYNTHESIS OF 3-AMINOBENZISOXAZOLES ELI LILLY AND COMPANY (US) 2000-05-18 WO disclosed