SCHEMBL11246002

SCHEMBL11246002

Cc1cc(C)c(CCC(=O)Cn2ccnc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HMOX2 P30519 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11237404 0.87 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1HMOX2
SCHEMBL11245116 0.86 ALDH1A1 (0.45) CYP11B1CYP11B2ALDH1A1HMOX2
SCHEMBL11245838 0.86 CYP11B1 (0.60) CYP11B1CYP11B2ALDH1A1KMT2AHMOX2
SCHEMBL11238995 0.84 CYP11B1 (0.54) CYP11B1CYP11B2ALDH1A1HMOX2
SCHEMBL11247258 0.83 TBXAS1 (0.44) CYP11B1CYP11B2ALDH1A1HMOX2
SCHEMBL11256237 0.79 TBXAS1 (0.43) CYP11B1CYP11B2HMOX2
SCHEMBL8804091 0.79 CYP19A1 (0.56) CYP11B1CYP11B2HMOX2
Hydrochloric Acid SCHEMBL408146 0.78 TBXAS1 (0.57) CYP11B1CYP11B2HMOX2
SCHEMBL11183455 0.78 ALDH1A1 (0.45) ALDH1A1HMOX2
SCHEMBL11241105 0.78 CYP11B1 (0.57) CYP11B1CYP11B2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed
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