SCHEMBL9550344

SCHEMBL9550344

N#CN1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GRM1 Q13255 11/20 0.38
GRM4 Q14833 9/20 0.38
ALPL P05186 1/20 0.37
GRM7 Q14831 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL7076245 0.82 DDB1 (0.40) DDB1CRBNCA1CA2CA7
SCHEMBL31317557 0.81 USP8 (0.30)
SCHEMBL9143697 0.76 CA12 (0.43) CA9CYP1A2MEN1RAB9AKMT2A
SCHEMBL9550323 0.76 CA12 (0.43) CA9CYP1A2MEN1RAB9AKMT2A
SCHEMBL9550308 0.73 S100A4 (0.53) DDB1CRBNCA1CA2CA7
SCHEMBL9279014 0.73 DDB1 (0.44) DDB1CRBNCA1CA2CA7
SCHEMBL31317581 0.72 GRM5 (0.31)
SCHEMBL30725964 0.72 MEN1 (0.53) DDB1CRBNCA1CA2CA7
SCHEMBL9550468 0.72 ERCC1 (0.57) CYP1A2MEN1KMT2A
SCHEMBL9853616 0.72 ERCC1 (0.52) DDB1CRBNCA1CA2CA7

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-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed