SCHEMBL9783524

SCHEMBL9783524

BCC=C(c1ccccc1C)c1ccccc1C.CC(C#N)Cn1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ CYP19A1 P11511 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ AGER Q15109 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL9783574 0.86 CYP19A1 (0.39) CYP11B1CYP11B2CYP19A1AGER
SCHEMBL9783528 0.81 CYP11B1 (0.34) CYP11B1CYP11B2CYP19A1
SCHEMBL9783632 0.78 CYP11B1 (0.42) CYP11B1CYP11B2IDO1CYP19A1ALDH1A1
SCHEMBL9784117 0.75 CYP19A1 (0.49) CYP19A1
SCHEMBL7769100 0.74 FDPS (0.44) CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL9808549 0.73 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2AIDO1
SCHEMBL9783612 0.73 CYP11B1 (0.42) CYP11B1CYP11B2MEN1KMT2AIDO1
SCHEMBL9783514 0.72 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2AIDO1
SCHEMBL9783805 0.70 CYP19A1 (0.41) CYP19A1
SCHEMBL9808546 0.69 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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