SCHEMBL11238973

SCHEMBL11238973

O=C(Cc1ccccc1)Cn1ccnc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX2 P30519 1/20 0.64
CYP19A1 P11511 4/20 0.57
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
TBXAS1 P24557 1/20 0.57
QPCT Q16769 1/20 0.57
CYP4Z1 Q86W10 1/20 0.57
QPCTL Q9NXS2 1/20 0.57
ALDH1A1 P00352 1/20 0.56

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
Sulfuric Acid SCHEMBL11263269 0.94 HMOX2 (0.58) HMOX2CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL11433594 0.87 HMOX2 (0.54) HMOX2CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL6948775 0.84 CYP19A1 (0.59) HMOX2CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL410597 0.84 HMOX2 (0.61) HMOX2TBXAS1
SCHEMBL11239699 0.84 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11248355 0.84 CYP19A1 (0.59) HMOX2CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11231149 0.84 EGLN3 (0.58) CYP19A1CYP11B1CYP11B2CYP1A2POLB
Hydrochloric Acid SCHEMBL411563 0.83 TBXAS1 (0.59) HMOX2TBXAS1
Hydrochloric Acid SCHEMBL11265743 0.83 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11243136 0.83 CYP11B1 (0.63) HMOX2CYP19A1CYP11B1CYP11B2TBXAS1

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
CN-109996789-A 1, 5-substituted imidazole derivatives as fungicides for crop protection 拜耳作物科学股份公司 2019-07-09 CN 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