SCHEMBL11239102

SCHEMBL11239102

CCCC1(CCC)COC(CCn2ccnc2)(Cc2ccc(Cl)cc2)OC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.47
CYP2A6 P11509 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CYP2B6 P20813 1/20 0.45

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
SCHEMBL11252118 0.92 HMOX1 (0.47) HMOX1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL11229193 0.90 CYP19A1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11236793 0.90 HMOX1 (0.55) HMOX1
SCHEMBL11244504 0.89 HMOX1 (0.49) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11235305 0.89 CYP19A1 (0.42) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11239810 0.88 HMOX1 (0.49) HMOX1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL11249904 0.87 MEN1 (0.45) CYP19A1CYP11B1
SCHEMBL11244237 0.87 KMT2A (0.43) HMOX1
SCHEMBL11247504 0.86 HMOX1 (0.46) HMOX1CYP2A6CYP19A1CYP11B1CYP11B2
SCHEMBL11236268 0.85 KCNH2 (0.40) HMOX1CYP19A1

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