SCHEMBL7876933

SCHEMBL7876933

CCCCCCNC(=O)Cc1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.48
QPCT Q16769 1/20 0.48
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8646520 0.90 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7875258 0.90 SMN1; SMN2 (0.52) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7873921 0.86 MAPK1 (0.42) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7877262 0.86 GAA (0.65) SMN1; SMN2HTTMAPK1KMT2AQPCT
SCHEMBL7868660 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AQPCTNPC1
SCHEMBL7873773 0.83 SMN1; SMN2 (0.49) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL8447070 0.82 TBXAS1 (0.55) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7877285 0.81 ALDH1A1 (0.67) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7868578 0.81 ALDH1A1 (0.67) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7868601 0.80 ALDH1A1 (0.47) SMN1; SMN2HTTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO claimed
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