SCHEMBL11244599

SCHEMBL11244599

COc1ccc(CC2(Cn3ccnc3)OCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.50
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL11247245 0.95 HMOX1 (0.55) HMOX1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11247617 0.88 MEN1 (0.48) HMOX1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11242859 0.88 HMOX1 (0.66) HMOX1
SCHEMBL11238404 0.87 HMOX1 (0.47) HMOX1TBXAS1
SCHEMBL11234779 0.87 CYP19A1 (0.46) HMOX1CYP19A1CYP11B1MEN1KMT2A
SCHEMBL11248299 0.86 HMOX1 (0.53) HMOX1CYP19A1CYP11B1
SCHEMBL11244363 0.86 MEN1 (0.52) HMOX1CYP19A1MEN1KMT2AATM
SCHEMBL11239983 0.86 HMOX1 (0.44) HMOX1CYP19A1CYP11B1
SCHEMBL11231732 0.86 HMOX1 (0.57) HMOX1MEN1KMT2A
Bromide SCHEMBL11237225 0.85 HMOX1 (0.52) HMOX1CYP19A1CYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed