SCHEMBL20016795

SCHEMBL20016795

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(N(c5ccc(-c6ccc7c(-c8ccccc8)c8c(c(-c9ccccc9)c7c6)-c6cccc7c(-c9cccc(N(c%10ccccc%10)c%10ccc(-c%11cccnc%11)cc%10)c9)ccc-8c67)cc5)c5ccc(-c6ccccn6)cc5)c4)c4cccc-3c24)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.37
▸ GRM5 P41594 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL20016891 0.91 CYP11B1 (0.33) DHODHCYP11B1PDK2TGFBR1BRD4
SCHEMBL20016800 0.91 PIK3CA (0.37) GRM5PIK3CACHEK1PDK2TGFBR1
SCHEMBL20016890 0.90 PIK3CA (0.40) FYNDHODHPIK3CACYP11B1CYP11B2
SCHEMBL20016879 0.90 PIM1 (0.35) CYP2A6GRM5FYNPIK3CAPIM1
SCHEMBL20016801 0.90 PIK3CA (0.37) CYP2A6FYNDHODHPIK3CAPIM1
SCHEMBL17132477 0.89 TGFBR1 (0.35) GRM5DHODHCYP11B1PDK2LMNA
SCHEMBL16485096 0.89 TGFBR1 (0.35) GRM5DHODHCYP11B1PDK2LMNA
SCHEMBL16484659 0.89 CYP11B1 (0.40) CYP2A6FYNDHODHPIK3CACYP11B1
SCHEMBL16485099 0.89 CYP11B1 (0.40) CYP2A6FYNDHODHPIK3CACYP11B1
SCHEMBL20016859 0.87 FYN (0.35) FYNPIK3CACYP11B1CYP11B2CHEK1

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
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
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