SCHEMBL9783833

SCHEMBL9783833

BCC(c1ccccc1)c1ccccc1.CC(C)c1cncn1-c1ccc(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ P2RX7 Q99572 3/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ GPBAR1 Q8TDU6 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31

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
SCHEMBL9783820 0.81 HSD11B1 (0.32) HSD11B1P2RX7GRM4GPBAR1HSP90AA1
SCHEMBL9783707 0.77 KCNA5 (0.37) HSD11B1P2RX7L3MBTL1
SCHEMBL9783945 0.76 CYP19A1 (0.43) LMNACYP19A1P2RX7CYP11B1CYP11B2
SCHEMBL9783826 0.70 GPBAR1 (0.36) LMNATP53PSEN1PSEN2APH1B
SCHEMBL11777500 0.69 MAPK14 (0.40) TP53GPBAR1HSP90AA1HSP90AB1
SCHEMBL9783934 0.66 CYP19A1 (0.35) HSD11B1CYP19A1GRM4GPBAR1GRM5
SCHEMBL9783983 0.65 ALDH1A1 (0.39) HSD11B1LMNACYP19A1P2RX7CYP11B1
SCHEMBL9784031 0.64 CYP11B1 (0.40) LMNAP2RX7GPBAR1CYP11B1CYP11B2
SCHEMBL9783676 0.64 HSD11B1 (0.34) HSD11B1P2RX7GRM5GABRG2GABRB3
SCHEMBL13145112 0.64 HSP90AA1 (0.53) LMNAHSP90AA1HSP90AB1GABRG2GABRB3

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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