SCHEMBL9808549

SCHEMBL9808549

BCCC=CCC(c1ccccc1C)c1ccccc1C.CC(C#N)Cn1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ AGER Q15109 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP26A1 O43174 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL9783805 0.88 CYP19A1 (0.41) CYP19A1POLB
SCHEMBL9783632 0.85 CYP11B1 (0.42) CYP11B1CYP11B2IDO1ALDH1A1CYP19A1
SCHEMBL9783034 0.79 — —
SCHEMBL9784117 0.74 CYP19A1 (0.49) CYP19A1POLB
SCHEMBL9783524 0.73 CYP11B1 (0.39) CYP11B1CYP11B2IDO1ALDH1A1CYP19A1
SCHEMBL9808546 0.72 CYP11B1 (0.36) CYP11B1CYP11B2IDO1ALDH1A1CYP19A1
SCHEMBL9783574 0.72 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1AGERCYP26A1
SCHEMBL7769100 0.71 FDPS (0.44) CYP11B1CYP11B2ALDH1A1CYP19A1
Imidazole SCHEMBL9783761 0.71 CYP19A1 (0.38) ALDH1A1CYP19A1
SCHEMBL9783801 0.71 CYP19A1 (0.37) CYP11B1CYP11B2CYP19A1AGERPOLB

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 2 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 disclosed
US-4983589-A Fungicidal imidazole diphenylaliphaticboranes and derivatives thereof CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1991-01-08 — — US disclosed
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