SCHEMBL7873794

SCHEMBL7873794

O=CCCc1nccn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
HSP90AB1 P08238 1/20 0.47
HSP90B1 P14625 1/20 0.47
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.43
FDPS P14324 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 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
SCHEMBL16064991 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL10615885 0.82 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL2397794 0.81 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL661488 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL5292839 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL27389591 0.80 HSP90AA1 (0.61) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL11449438 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL2872632 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL10621322 0.79 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL27387144 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2

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