SCHEMBL9003378

SCHEMBL9003378

Cc1ccc(C(C[S+](c2ccc(F)cc2)c2ccc(F)cc2)=C(C#N)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.38
KMT2A Q03164 5/20 0.34
PAX8 Q06710 1/20 0.34
MAPT P10636 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
HSD11B1 P28845 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 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
SCHEMBL8956402 0.85 NPC1 (0.38) LMNAALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL9003692 0.72 PTGS2 (0.33)
SCHEMBL29227275 0.67 L3MBTL1 (0.46) LMNAALDH1A1TDP1KMT2AMAPT
SCHEMBL16886108 0.66 EGFR (0.47) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL14698829 0.66 EGFR (0.47) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL28354801 0.64 APP (0.42) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL9069194 0.64 ALDH1A1 (0.42) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL9456794 0.64 CES2 (0.42) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL6116313 0.63 ACHE (0.68) LMNAALDH1A1SMN1; SMN2TDP1ACHE
SCHEMBL6116896 0.63 ACHE (0.68) LMNAALDH1A1SMN1; SMN2TDP1ACHE

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed