SCHEMBL7877285

SCHEMBL7877285

CCCCCNC(=O)/C=C/c1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
ITGB2 P05107 2/20 0.52
ICAM1 P05362 2/20 0.52
ITGAL P20701 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
EGFR P00533 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
APP P05067 1/20 0.45

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
SCHEMBL7868578 1.00 ALDH1A1 (0.67) ALDH1A1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL7876933 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTLMNANPC1
SCHEMBL7875258 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTLMNANPC1
SCHEMBL7877262 0.79 GAA (0.65) ALDH1A1SMN1; SMN2MAPK1HTTLMNA
SCHEMBL10858265 0.79 ALDH1A1 (0.79) ALDH1A1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL10858272 0.79 ALDH1A1 (0.79) ALDH1A1ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL7873773 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1HTTLMNANPC1
SCHEMBL7879569 0.75 QPCT (0.49) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL7868601 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1HTTLMNA
SCHEMBL8949297 0.75 SMN1; SMN2 (0.52) ALDH1A1SMN1; 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 5 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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed