SCHEMBL9367361

SCHEMBL9367361

C1=Cc2ccccc2C(n2ccnc2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.69
CYP3A4 P08684 2/20 0.36
HTR2A P28223 1/20 0.36
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.34
TBXAS1 P24557 2/20 0.33
RET P07949 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
QPCT Q16769 1/20 0.33
CYP4Z1 Q86W10 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL9633309 0.81 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B2CYP11B1TBXAS1
SCHEMBL9363703 0.81 CYP19A1 (0.47) CYP19A1CYP3A4CYP2D6IDO1
SCHEMBL27277223 0.79 CYP19A1 (0.51) CYP19A1CYP3A4HTR2ACYP11B2CYP11B1
SCHEMBL9634666 0.77 CYP19A1 (0.67) CYP19A1HTR2ACYP11B2CYP11B1TBXAS1
Nitric Acid SCHEMBL9363933 0.74 CYP19A1 (0.40) CYP19A1CYP3A4POLBCYP2D6MAPT
SCHEMBL3746574 0.72 CYP19A1 (0.59) CYP19A1CYP3A4CYP11B2CYP11B1TBXAS1
SCHEMBL11559534 0.70 CYP19A1 (0.56) CYP19A1HTR2ACYP11B2TBXAS1
SCHEMBL11557214 0.69 CYP19A1 (0.55) CYP19A1HTR2ACYP11B2CYP11B1TBXAS1
SCHEMBL11411045 0.69 CYP19A1 (0.55) CYP19A1POLBMAPTMEN1KMT2A
SCHEMBL13475616 0.69 CYP19A1 (0.55) CYP19A1CYP3A4HTR2ACYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392326-B1 Dichloro-substituted imidazole derivatives as antifungal agents ESPANOLA FARMA THERAPEUT (ES) 1994-07-20 EP claimed
US-5177099-A Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS S.A. (ES) 1993-01-05 US claimed
EP-0392326-A1 Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1990-10-17 EP claimed
EP-0392326-B1 Dichloro-substituted imidazole derivatives as antifungal agents ESPANOLA FARMA THERAPEUT (ES) 1994-07-20 EP disclosed
US-5177099-A Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS S.A. (ES) 1993-01-05 US disclosed
US-5177099-A Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS S.A. (ES) 1993-01-05 US disclosed
EP-0392326-A1 Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1990-10-17 EP disclosed
EP-0392326-A1 Dichloro-substituted imidazole derivatives as antifungal agents SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1990-10-17 EP disclosed