SCHEMBL4940405

SCHEMBL4940405

N#Cc1[c]cc(C#N)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.40
IMPDH1 P20839 2/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AR P10275 5/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
STAT3 P40763 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DYRK1A Q13627 1/20 0.32
GALR3 O60755 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
SCHEMBL4946865 0.76 CA1 (0.39) IMPDH2IMPDH1CA1CA2AR
SCHEMBL27642551 0.75 ALDH1A1 (0.35) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL27642645 0.73 LOXL2 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL151936 0.71 IMPDH2 (0.64) IMPDH2IMPDH1CA1CA2AR
SCHEMBL29489135 0.71 IMPDH2 (0.64) IMPDH2IMPDH1CA1CA2AR
SCHEMBL27663209 0.71 TDP1 (0.31) TDP1
SCHEMBL11193357 0.69 IMPDH2 (0.61) IMPDH2IMPDH1CA1CA2AR
SCHEMBL644723 0.68 CA1 (0.47) IMPDH2IMPDH1CA1CA2AR
SCHEMBL10774580 0.68 ALDH1A1 (0.42) IMPDH2IMPDH1CA1CA2AR
SCHEMBL11228244 0.67 IMPDH2 (0.59) IMPDH2IMPDH1CA1CA2AR

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
EP-1072669-B1 Organic electroluminescent device SONY CORP (JP) 2008-09-03 EP disclosed
US-6680131-B1 Organic electroluminescent device SONY CORPORATION (JP) 2004-01-20 US disclosed
EP-1072669-A2 Organic electroluminescent device SONY CORPORATION (JP) 2001-01-31 EP disclosed