SCHEMBL9523481

SCHEMBL9523481

c1ccc(-n2nnc3ccc(Cn4ccnc4)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.52
CYP11B2 P19099 11/20 0.52
CYP19A1 P11511 5/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
TBXAS1 P24557 1/20 0.52
QPCT Q16769 1/20 0.52
CYP4Z1 Q86W10 1/20 0.52
QPCTL Q9NXS2 1/20 0.52
CYP17A1 P05093 2/20 0.51
ADRA2C P18825 1/20 0.46

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
SCHEMBL9524490 0.82 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9707231 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9525410 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9525445 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9663727 0.79 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Hydrochloric Acid SCHEMBL9527151 0.78 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9527191 0.76 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9662930 0.76 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9868315 0.75 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9664261 0.75 KCNH2 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed