SCHEMBL10883578

SCHEMBL10883578

C=Cc1ccc(N2C(=O)C=CC2=O)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.38
▸ SRD5A1 P18405 1/20 0.36
▸ G6PD P11413 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MGLL Q99685 9/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ FAAH O00519 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL10584544 0.77 TLR9 (0.53) TLR9G6PDALDH1A1PKMMGLL
SCHEMBL10885514 0.76 TLR9 (0.41) TLR9SRD5A1G6PDALDH1A1PKM
SCHEMBL16956451 0.74 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAHPGD
SCHEMBL8973467 0.74 MGLL (0.53) TLR9SRD5A1G6PDALDH1A1MAPT
SCHEMBL10883694 0.73 TLR9 (0.36) TLR9G6PDALDH1A1MAPTPKM
SCHEMBL10883126 0.72 TLR9 (0.64) TLR9SRD5A1G6PDALDH1A1MAPT
SCHEMBL10883347 0.71 ALDH1A1 (0.40) TLR9SRD5A1G6PDALDH1A1MAPT
SCHEMBL14321468 0.71 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL3771981 0.71 TLR9 (0.64) TLR9ALDH1A1MAPTPKMMGLL
SCHEMBL31290788 0.71 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077840-B1 CURABLE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 — — EP disclosed
US-4506042-A MOLDING, LAMINATION, VARISH MITSUI TOATSU CHEMICALS, INC. (JP) 1985-03-19 — — US disclosed
US-4401777-A Curable resin composition comprising N-(alkenylphenyl)maleimide and epoxy composition MITSUI TOATSU CHEMICALS, INC. (JP) 1983-08-30 — — US disclosed
EP-0077840-A1 Curable resin composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-05-04 — — EP disclosed
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