SCHEMBL7873773

SCHEMBL7873773

CCCCNC(=O)NCCc1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 3/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
QPCT Q16769 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
SCHEMBL7875258 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTNPC1MEN1
SCHEMBL7876935 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1MEN1KMT2A
SCHEMBL7876933 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTNPC1MEN1
SCHEMBL8445910 0.82 CYP19A1 (0.47) SMN1; SMN2NPC1MEN1KMT2AQPCT
SCHEMBL18568234 0.80 QPCT (0.65) SMN1; SMN2MAPK1HTTNPC1MEN1
SCHEMBL9271417 0.80 HMOX1 (0.50) SMN1; SMN2NPC1MEN1KMT2AQPCT
SCHEMBL7868767 0.80 CYP19A1 (0.47) MEN1KMT2AQPCT
SCHEMBL17117196 0.79 SMN1; SMN2 (0.70) SMN1; SMN2NPC1MEN1KMT2ACYP1A2
SCHEMBL8447070 0.78 TBXAS1 (0.55) SMN1; SMN2MAPK1HTTNPC1MEN1
SCHEMBL7868578 0.78 ALDH1A1 (0.67) SMN1; SMN2MAPK1HTTNPC1MEN1

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
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