SCHEMBL6178338

SCHEMBL6178338

Cc1c[nH]c2cc(C(=O)N(CC(=O)NCC3CCN(c4ccncc4)CC3)c3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL5868105 0.96 F10 (0.38) F10ACHE
SCHEMBL5868094 0.91 F10 (0.42) F10ACHE
SCHEMBL5868300 0.85 F10 (0.41) F10ACHEKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5868142 0.82 F10 (0.40) F10ACHEHPGD
Trifluoroacetic Acid SCHEMBL5867994 0.82 KDM4E (0.40) F10ACHEKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5868135 0.80 F10 (0.43) F10ACHEHPGD
SCHEMBL5868138 0.77 F10 (0.43) F10
Trifluoroacetic Acid SCHEMBL5868319 0.77 F10 (0.53) F10ACHEKDM4EALDH1A1HPGD
SCHEMBL5868199 0.76 F10 (0.40) F10
SCHEMBL5867984 0.75 F10 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed