SCHEMBL7877299

SCHEMBL7877299

CC(C)(NCC(O)Cn1cnc(CCNC(=O)c2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ESRRG P62508 1/20 0.40
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPT P10636 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FABP2 P12104 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP27B1 O15528 2/20 0.36
CYP24A1 Q07973 2/20 0.36
CYP2D6 P10635 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 0.84 ESRRG (0.42) TP53ESRRGMAPTPTGDR2NPC1
SCHEMBL7875130 0.84 PRMT5 (0.40) ESRRGPRMT5WDR77MAPTNPC1
SCHEMBL9020867 0.78 TP53 (0.42) TP53ESRRGPRMT5MAPTPTGDR2
SCHEMBL7879564 0.77 KMT2A (0.32) SMN1; SMN2LMNA
SCHEMBL7868666 0.71 ADRA2C (0.46) LMNA
SCHEMBL7877070 0.69 ESRRG (0.41) ESRRGMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9021148 0.69 TP53 (0.45) TP53ESRRGMAPTPTGDR2NPC1
SCHEMBL7876986 0.67 ALDH1A1 (0.41) TP53MAPTSMN1; SMN2ALDH1A1PPARG
SCHEMBL7868474 0.65 CYP2C9 (0.40) LMNA
SCHEMBL9062823 0.64 KMT2A (0.53) CYP2D6LMNA

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