SCHEMBL7873708

SCHEMBL7873708

CC(C)(NCCCn1ccnc1)c1ccc(CCNS(=O)(=O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.49
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXAS1 P24557 2/20 0.42

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
SCHEMBL7873784 0.86 ALDH1A1 (0.55) CYP19A1ALDH1A1POLBKMT2ALMNA
SCHEMBL7879552 0.86 CYP19A1 (0.64) CYP19A1ALDH1A1POLBKMT2A
SCHEMBL7868654 0.85 ALDH1A1 (0.52) CYP19A1ALDH1A1POLBKMT2ALMNA
SCHEMBL7879591 0.85 ALDH1A1 (0.52) CYP19A1ALDH1A1POLBKMT2ALMNA
SCHEMBL7873778 0.85 CYP19A1 (0.54) CYP19A1ALDH1A1POLBLMNAHTT
SCHEMBL7876913 0.84 ALDH1A1 (0.53) CYP19A1ALDH1A1POLBKMT2ALMNA
SCHEMBL9020919 0.82 ALDH1A1 (0.50) CYP19A1ALDH1A1POLBKMT2ALMNA
SCHEMBL7877347 0.78 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL8445910 0.78 CYP19A1 (0.47) CYP19A1POLBKMT2ASMN1; SMN2TBXAS1
SCHEMBL9271417 0.76 HMOX1 (0.50) CYP19A1POLBKMT2ASMN1; SMN2TBXAS1

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 6 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
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