SCHEMBL9525445

SCHEMBL9525445

c1ccc(COn2nnc3ccc(Cn4ccnc4)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.51
CYP11B2 P19099 10/20 0.51
CYP19A1 P11511 3/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TBXAS1 P24557 1/20 0.51
QPCT Q16769 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
PGGT1B P53609 3/20 0.50
CYP17A1 P05093 1/20 0.47
KMT2A Q03164 2/20 0.46
ADRA2C P18825 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
SCHEMBL9524500 0.91 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1MAPTCYP1A2
SCHEMBL9527445 0.88 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1MAPTCYP1A2
Hydrochloric Acid SCHEMBL9524018 0.84 ALDH1A1 (0.47) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9527191 0.82 CYP19A1 (0.52) CYP11B1CYP11B2CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL9523846 0.82 ALDH1A1 (0.46) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9527175 0.82 CYP19A1 (0.47) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9524490 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1MAPTCYP1A2
SCHEMBL9868315 0.81 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1MAPTCYP1A2
Hydrochloric Acid SCHEMBL9525196 0.80 LMNA (0.48) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9523202 0.80 TBXAS1 (0.53) CYP19A1TBXAS1

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 4 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
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed