SCHEMBL7877262

SCHEMBL7877262

CCCCCCNC(=O)COc1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
PKM P14618 2/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
MAPK1 P28482 3/20 0.62
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.54
ADAMTS5 Q9UNA0 1/20 0.53
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
QPCT Q16769 1/20 0.48
PLA2G4A P47712 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
SCHEMBL7876933 0.86 SMN1; SMN2 (0.52) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL7875258 0.83 SMN1; SMN2 (0.52) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL8949297 0.80 SMN1; SMN2 (0.52) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL7868578 0.79 ALDH1A1 (0.67) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL7877285 0.79 ALDH1A1 (0.67) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL7879586 0.78 PKM (0.91) GAAPKMSMN1; SMN2MAPK1L3MBTL1
SCHEMBL10848211 0.78 PKM (0.79) GAAPKMSMN1; SMN2MAPK1L3MBTL1
SCHEMBL7873773 0.77 SMN1; SMN2 (0.49) GAASMN1; SMN2MAPK1HTTLMNA
SCHEMBL7877020 0.77 MAPK1 (0.46) GAAPKMSMN1; SMN2MAPK1HTT
SCHEMBL8646520 0.76 SMN1; SMN2 (0.50) GAASMN1; SMN2MAPK1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed