SCHEMBL28451569

SCHEMBL28451569

N#Cc1cccc(COP(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ FFAR1 O14842 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ KCNN4 O15554 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ MRGPRX1 Q96LB2 1/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41

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
SCHEMBL27729330 0.80 GLA (0.51) GLAFFAR1FFAR4MRGPRX4SGMS2
SCHEMBL389123 0.79 TSHR (0.61) MEN1KMT2A
SCHEMBL28104834 0.77 TSHR (0.59) MEN1KMT2A
SCHEMBL28442764 0.77 IDO1 (0.50) LMNAMEN1KMT2AMAOBMAOA
SCHEMBL28451418 0.77 CYP3A4 (0.50) TACR1MEN1KMT2AMAOBMAOA
SCHEMBL4244557 0.77 GLA (0.51) GLAFFAR1FFAR4MRGPRX4SGMS2
SCHEMBL22469683 0.76 TSHR (0.56) GLAFFAR1FFAR4MRGPRX4TACR1
SCHEMBL31568453 0.76 TSHR (0.56) GLAFFAR1FFAR4MRGPRX4TACR1
SCHEMBL28443329 0.75 IDO1 (0.53) MRGPRX4MEN1KMT2AMAOB
SCHEMBL1248693 0.74 MAOB (0.66) FFAR1FFAR4MRGPRX4GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602609-B Method for preparing organic phosphate compound by using P (O) -OH compound and methyl-containing substituted aromatic hydrocarbon 湖南理工学院 2020-07-21 — — CN disclosed
Send feedback