SCHEMBL9783171

SCHEMBL9783171

C=CB(c1ccccc1)c1ccccc1.C=Cn1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP17A1 P05093 4/20 0.36
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 5/20 0.34
CYP19A1 P11511 4/20 0.34
MAPT P10636 2/20 0.34
TBXAS1 P24557 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
QPCT Q16769 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 2/20 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
Biphenyl SCHEMBL27971589 0.79 CYP17A1 (0.47) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
Styrene SCHEMBL15638667 0.78 TSHR (0.50) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783697 0.77 CYP11B1 (0.45) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783368 0.77 CYP11B1 (0.45) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL16924647 0.76 NFKB1 (0.38) CYP3A4CYP17A1TBXAS1QPCTQPCTL
SCHEMBL25841 0.76
SCHEMBL5332293 0.76 CYP3A4 (0.37) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783265 0.76 CYP24A1 (0.36) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9783757 0.76 CYP19A1 (0.39) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL17961205 0.75 TSHR (0.48) CYP3A4CYP17A1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 EP claimed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 US claimed
US-5051514-A Complexing boranes and imidazoles CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-09-24 US disclosed
EP-0432987-A2 Fungicidal organoborane imidazole compounds and intermediates therefor CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-06-19 EP disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 US disclosed