SCHEMBL7868534

SCHEMBL7868534

CC(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
PKM P14618 1/20 0.65
LMNA P02545 2/20 0.64
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADAMTS5 Q9UNA0 1/20 0.58
MAPT P10636 2/20 0.55
QPCT Q16769 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL7873865 0.79 PKM (0.54) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL7868740 0.78 LMNA (1.00) SMN1; SMN2PKMLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7877369 0.78 PKM (0.53) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL13416049 0.77 QPCT (0.62) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7868633 0.77 PKM (0.80) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL8649866 0.77 LMNA (0.57) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL6571604 0.77 SMN1; SMN2 (0.84) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10832667 0.76 CYP1A2 (1.00) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL7879586 0.75 PKM (0.91) SMN1; SMN2PKMLMNACYP1A2CYP3A4
SCHEMBL11873469 0.74 GAA (0.51) SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19

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