SCHEMBL7879600

SCHEMBL7879600

CC(C)(NCCCc1nccn1Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.47
HSP90B1 P14625 2/20 0.43
HSP90AB1 P08238 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
KCNH2 Q12809 2/20 0.42
HDAC1 Q13547 1/20 0.41
NR3C1 P04150 1/20 0.39

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
SCHEMBL7868712 0.80 HSP90AA1 (0.48) HSP90AA1HSP90B1HSP90AB1MEN1KMT2A
SCHEMBL7873796 0.78 ALDH1A1 (0.53) ALDH1A1
SCHEMBL10585567 0.75 HSP90AA1 (0.55) HSP90AA1HSP90B1HSP90AB1MEN1KMT2A
SCHEMBL2397794 0.75 HSP90AA1 (0.62) HSP90AA1HSP90B1HSP90AB1MEN1KMT2A
SCHEMBL8443490 0.74 CA12 (0.47) MEN1KMT2AALDH1A1KCNH2
SCHEMBL9214231 0.74 AGTR1 (0.66) HSP90AA1HSP90B1HSP90AB1AGTR1AGTR2
SCHEMBL27389591 0.73 HSP90AA1 (0.61) HSP90AA1HSP90B1HSP90AB1MEN1KMT2A
SCHEMBL17788613 0.73 HSP90AA1 (0.50) HSP90AA1HSP90B1HSP90AB1MEN1KMT2A
SCHEMBL11014930 0.73 AGTR1 (0.61) HSP90AA1HSP90B1HSP90AB1ALDH1A1AGTR1
SCHEMBL7879542 0.72 KDM4E (0.45) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19

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