Sugi Predict

Sugi Predict / Compounds / SCHEMBL11253014

SCHEMBL11253014

SCHEMBL11253014

CC1COC(CCCn2ccnc2)(c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 2/20 0.46
▸ CYP19A1 P11511 1/20 0.42
▸ TBXAS1 P24557 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL11242355 0.97 HMOX1 (0.45) HMOX1CYP19A1TBXAS1MEN1KMT2A
SCHEMBL11235557 0.93 HMOX1 (0.47) HMOX1CYP19A1TBXAS1
SCHEMBL11235683 0.90 HMOX1 (0.55) HMOX1
SCHEMBL11247263 0.90 QPCT (0.45) HMOX1CYP19A1
SCHEMBL11237009 0.87 MEN1 (0.50) HMOX1MEN1KMT2A
SCHEMBL11236394 0.87 HMOX1 (0.45) HMOX1CYP19A1KMT2A
SCHEMBL11238488 0.87 HMOX1 (0.44) HMOX1CYP19A1MEN1KMT2A
SCHEMBL11238035 0.87 HMOX1 (0.54) HMOX1
SCHEMBL11239956 0.84 CYP19A1 (0.47) CYP19A1TBXAS1MEN1KMT2A
SCHEMBL11238847 0.84 MEN1 (0.49) HMOX1MEN1KMT2A

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