SCHEMBL6770544

SCHEMBL6770544

COC(=O)c1cnccc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
NPC1 O15118 3/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NAMPT P43490 1/20 0.52
F2 P00734 1/20 0.52
KMT2A Q03164 1/20 0.52
KIT P10721 1/20 0.48
SRC P12931 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL6771981 0.86 SERPINE1 (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6108092 0.81 TSHR (0.72) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21767689 0.79 PTPN1 (0.48) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL16455939 0.78 RAB9A (0.59) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4800345 0.77 KDM4E (0.59) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14690552 0.77 MAPK8 (0.54) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL31261245 0.77 RAB9A (0.58) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL22441103 0.77 RAB9A (0.58) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6108626 0.77 KDM4E (0.68) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL10784388 0.77 MAPK8 (0.49) KDM4EALDH1A1LMNAHPGDKMT2A

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
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed