SCHEMBL9783757

SCHEMBL9783757

C=CB(c1ccccc1)c1ccccc1.c1cn(C2CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.39
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP17A1 P05093 2/20 0.33
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TBXAS1 P24557 1/20 0.31
QPCT Q16769 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
TACR2 P21452 1/20 0.31
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9783991 0.81 CYP19A1 (0.41) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL9784129 0.80 CYP19A1 (0.35) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL9783556 0.76 CYP19A1 (0.38) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL9783171 0.76 CYP3A4 (0.37) CYP19A1CYP3A4CYP2D6KCNH2CYP17A1
SCHEMBL945421 0.74
SCHEMBL9783368 0.72 CYP11B1 (0.45) CYP19A1CYP3A4CYP2D6CYP17A1CYP11B1
SCHEMBL9783697 0.72 CYP11B1 (0.45) CYP19A1CYP3A4CYP2D6HRH1KCNH2
SCHEMBL9677161 0.72 CYP11B1 (0.37) CYP19A1CYP3A4CYP2D6CYP17A1CYP11B1
Hydrochloric Acid SCHEMBL28498519 0.72 CYP19A1 (0.39) CYP19A1CYP3A4CYP2D6HRH1KCNH2
Ammonia Solution, Strong SCHEMBL28860953 0.72

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