SCHEMBL6773804

SCHEMBL6773804

CC(C)(C)c1ccc(C(=O)Nc2ccncc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.65
DEGS1 O15121 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
NFKB1 P19838 2/20 0.56
RAB9A P51151 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TSHR P16473 1/20 0.56
KCNH2 Q12809 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
KLKB1 P03952 2/20 0.54

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
SCHEMBL6108304 0.87 F10 (0.72) F10
SCHEMBL6109799 0.84 PPARG (0.63) F10KCNH2KLKB1
SCHEMBL6109802 0.83 SERPINE1 (0.71) F10DEGS1SMN1; SMN2TP53NFKB1
SCHEMBL6107398 0.82 KCNH2 (0.62) F10KCNH2KLKB1
SCHEMBL6107226 0.80 F10 (0.60) F10DEGS1SMN1; SMN2TP53NFKB1
SCHEMBL5240318 0.80 RAB9A (0.58) F10DEGS1SMN1; SMN2TP53NFKB1
SCHEMBL12134289 0.80 F10 (0.74) F10
SCHEMBL6107388 0.79 F10 (0.64) F10SMN1; SMN2TP53NFKB1RAB9A
SCHEMBL9881765 0.79 F10 (0.82) F10
SCHEMBL12132498 0.79 F10 (1.00) F10

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