SCHEMBL9783072

SCHEMBL9783072

BC=C(c1ccccc1)c1ccccc1.Fc1ccc(-n2ccnc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ ADH5 P11766 2/20 0.37
▸ CYP3A4 P08684 6/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ CD38 P28907 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9783248 0.86 ALOX15 (0.42) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9783945 0.78 CYP19A1 (0.43) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9783064 0.77 P2RX7 (0.38) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9784031 0.76 CYP11B1 (0.40) IDO1P2RX7CYP3A4LMNANPSR1
SCHEMBL9783595 0.75 P2RX7 (0.39) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9783926 0.74 P2RX7 (0.42) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9783135 0.74 PDE4A (0.39) IDO1P2RX7ADH5CYP3A4CYP1A2
SCHEMBL11775302 0.72 CYP19A1 (0.46) IDO1ADH5CYP3A4CYP1A2CYP2D6
SCHEMBL11777233 0.69 HCRTR1 (0.42) IDO1P2RX7CYP3A4CYP1A2CYP2D6
SCHEMBL9783983 0.69 ALDH1A1 (0.39) IDO1P2RX7CYP3A4CYP1A2CYP2D6

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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