SCHEMBL7365352

SCHEMBL7365352

CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
ALDH1A1 P00352 2/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7368426 0.91 NPC1 (0.54) KMT2AMEN1NPC1RAB9ANR1H4
SCHEMBL7373717 0.89 NR1H4 (0.57) SMN1; SMN2NR1H4PPARGPPARAPPARD
SCHEMBL7369674 0.83 RXFP1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7366495 0.80 FLT3 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7367977 0.79 JAK2 (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL7364651 0.79 NR1H4 (0.45) NR1H4PPARGPPARAPPARD
SCHEMBL7371977 0.78 NR1H4 (0.46) SMN1; SMN2NR1H4RXFP1PPARGPPARA
SCHEMBL7367697 0.78 NR1H4 (0.45) NR1H4PPARGPPARAPPARD
SCHEMBL7369363 0.77 TP53 (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL7371060 0.77 F10 (0.46) NR1H4HPGDPPARGPPARA

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-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed