SCHEMBL7868633

SCHEMBL7868633

O=C(CCOc1ccc(Cl)cc1)NCCCn1ccnc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.80
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 3/20 0.68
ADAMTS5 Q9UNA0 1/20 0.68
GAA P10253 2/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.60
USP2 O75604 1/20 0.60
ALOX12 P18054 1/20 0.60
HTT P42858 2/20 0.59

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
SCHEMBL7879586 0.84 PKM (0.91) PKMSMN1; SMN2LMNAADAMTS5GAA
SCHEMBL7875030 0.82 PKM (0.65) PKMLMNAADAMTS5
SCHEMBL7868580 0.81 PKM (0.64) PKMLMNAADAMTS5
Hydrochloric Acid SCHEMBL7873875 0.80 PKM (0.63) PKMLMNAADAMTS5
Hydrochloric Acid SCHEMBL9482156 0.79 TBXAS1 (0.71) PKMLMNAGAA
SCHEMBL6571604 0.77 SMN1; SMN2 (0.84) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8258703 0.77 SMN1; SMN2 (0.65) PKMSMN1; SMN2LMNAADAMTS5CYP1A2
SCHEMBL7868740 0.77 LMNA (1.00) PKMSMN1; SMN2LMNAADAMTS5CYP1A2
SCHEMBL7868534 0.77 SMN1; SMN2 (0.73) PKMSMN1; SMN2LMNAADAMTS5CYP1A2
SCHEMBL7875162 0.77 NOS1 (0.60) PKMLMNA

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