SCHEMBL7876986

SCHEMBL7876986

CC(C)(NCCCn1cnc(CCNS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 1/20 0.39
THRB P10828 1/20 0.39
PRMT1 Q99873 2/20 0.39
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.36
TBXAS1 P24557 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7875247 0.82 ESRRG (0.42) ALDH1A1TP53SMN1; SMN2TMEM97SIGMAR1
SCHEMBL7873737 0.80 GAA (0.41) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL7868474 0.80 CYP2C9 (0.40) LMNA
Hydrochloric Acid SCHEMBL7873720 0.79 TDP1 (0.41) LMNA
SCHEMBL8444492 0.78 QPCTL (0.37) LMNASMN1; SMN2KDM4EMAPTNPSR1
SCHEMBL9021085 0.77 TP53 (0.44) ALDH1A1TP53GAALMNATHRB
SCHEMBL7873784 0.76 ALDH1A1 (0.55) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL8445998 0.74 QPCTL (0.48)
SCHEMBL7877119 0.73 SMN1; SMN2 (0.40) TP53LMNASMN1; SMN2THRBKDM4E
SCHEMBL8446127 0.72 QPCT (0.38) KDM4E

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