SCHEMBL7873899

SCHEMBL7873899

N#Cc1ccc(OCCNCCCn2ccnc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.65
CACNA1B Q00975 2/20 0.63
QPCT Q16769 1/20 0.55
NOS1 P29475 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 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
Hydrochloric Acid SCHEMBL7875269 0.99 TBXAS1 (0.70) TBXAS1L3MBTL1CACNA1BQPCTNOS1
SCHEMBL7296483 0.88 TBXAS1 (0.86) TBXAS1L3MBTL1CACNA1BQPCTNOS1
SCHEMBL7868580 0.85 PKM (0.64) QPCTNOS1MEN1KMT2AATM
SCHEMBL7868645 0.85 CACNA1B (0.61) CACNA1BQPCTNOS1MEN1KMT2A
SCHEMBL7876962 0.85 TBXAS1 (0.69) TBXAS1CACNA1BQPCTNOS1MEN1
SCHEMBL7303484 0.84 TBXAS1 (1.00) TBXAS1L3MBTL1CACNA1BNOS1MEN1
Hydrochloric Acid SCHEMBL7879599 0.84 MEN1 (0.59) TBXAS1QPCTNOS1MEN1KMT2A
Hydrochloric Acid SCHEMBL7873875 0.84 PKM (0.63) QPCTNOS1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL7876983 0.84 CACNA1B (0.60) CACNA1BQPCTNOS1MEN1KMT2A
SCHEMBL7875030 0.84 PKM (0.65) QPCTNOS1MEN1KMT2AATM

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