SCHEMBL10046803

SCHEMBL10046803

C/C(C#N)=C\c1ccc(N2CCCCCC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
SLC16A3 O15427 2/20 0.48
SLC16A1 P53985 2/20 0.48
MAPT P10636 7/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 7/20 0.44
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL160263 0.86 KMT2A (0.68) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL4408732 0.84 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL12445012 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL16312144 0.80 SLC16A3 (0.70) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL10046608 0.77 ALDH1A1 (0.69) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL15297121 0.76 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL16312152 0.75 ALDH1A1 (0.71) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL26552256 0.75 GABRA1 (0.51) LMNAMAPTRAB9AGABRA1GABRG2
SCHEMBL159816 0.73 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31539850 0.72 MEN1 (0.97) MEN1KMT2ASMN1; SMN2LMNATNNI3

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
EP-2126625-B1 SYSTEMS AND METHODS FOR IMPROVING THE PERFORMANCE OF A PHOTOREFRACTIVE DEVICE NITTO DENKO CORP (JP) 2012-02-22 EP disclosed