SCHEMBL7877322

SCHEMBL7877322

CCCCCc1cc(C(C)(C)NCCCn2ccnc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
TBXAS1 P24557 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
QPCT Q16769 3/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.40
PRKCI P41743 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7876970 0.87 CYP19A1 (0.48) SMN1; SMN2HTTMAPK1QPCTPOLB
SCHEMBL9021654 0.87 MAPK1 (0.43) SMN1; SMN2HTTMAPK1KMT2AGAA
SCHEMBL7877316 0.85 SMN1; SMN2 (0.44) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7877020 0.81 MAPK1 (0.46) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7879619 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPK1MEN1KMT2A
SCHEMBL7879569 0.79 QPCT (0.49) SMN1; SMN2MEN1KMT2AQPCTPOLB
SCHEMBL7868757 0.78 IDH1 (0.38) POLBKDM4E
SCHEMBL9020799 0.76 LMNA (0.42) SMN1; SMN2HTTMAPK1TBXAS1KMT2A
SCHEMBL7873790 0.76 QPCT (0.46) SMN1; SMN2MEN1KMT2AQPCTGAA
SCHEMBL9271417 0.75 HMOX1 (0.50) SMN1; SMN2TBXAS1MEN1KMT2AQPCT

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