SCHEMBL27306308

SCHEMBL27306308

CCOC(=O)C(C)c1cncn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.52
▸ CYP11B2 P19099 5/20 0.52
▸ LMNA P02545 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL27316522 0.88 CYP11B1 (0.60) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL9092542 0.85 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL27388451 0.85 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL6776094 0.79 CYP11B1 (0.62) CYP11B1CYP11B2IDO1ALDH1A1TSHR
SCHEMBL16380792 0.78 CYP11B1 (0.57) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL6774868 0.77 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL9642301 0.77 CYP11B1 (0.77) CYP11B1CYP11B2IDO1
SCHEMBL9092959 0.77 CYP11B1 (0.52) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL15458790 0.77 CYP11B1 (0.57) CYP11B1CYP11B2CYP1A2CYP3A4HSP90AA1
SCHEMBL9123088 0.75 CYP11B1 (0.67) CYP11B1CYP11B2

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
CN-1036993-C Aromatase inhibiting 4(5)-imidazoles FARMOS OY (FI) 1998-01-14 — — CN disclosed
CN-1033995-A 4 (5)-imidazoles that suppress aromatase enzyme FARMOS OY (FI) 1989-07-19 — — CN disclosed
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