SCHEMBL7876913

SCHEMBL7876913

CC(C)(NCCCn1ccnc1)c1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP19A1 P11511 7/20 0.47
LSS P48449 2/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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 0.88 ALDH1A1 (0.55) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2
SCHEMBL7873778 0.87 CYP19A1 (0.54) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2
SCHEMBL7879591 0.85 ALDH1A1 (0.52) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2
SCHEMBL7868654 0.85 ALDH1A1 (0.52) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2
SCHEMBL7873708 0.84 CYP19A1 (0.51) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2
SCHEMBL7879552 0.83 CYP19A1 (0.64) ALDH1A1CYP19A1POLBKMT2A
SCHEMBL9020697 0.82 ALDH1A1 (0.52) ALDH1A1CYP19A1LSSLMNAHTT
SCHEMBL8445910 0.76 CYP19A1 (0.47) CYP19A1SMN1; SMN2POLBKMT2A
SCHEMBL7868767 0.76 CYP19A1 (0.47) CYP19A1POLBKMT2A
SCHEMBL9268617 0.75 ALDH1A1 (0.42) ALDH1A1CYP19A1LMNAHTTSMN1; SMN2

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