SCHEMBL9003646

SCHEMBL9003646

F[B-](F)(F)F.N#CC(C#N)=C(C[S+](c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8956402 0.83 NPC1 (0.38) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL13172497 0.79 ALDH1A1 (0.38) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL9003389 0.79
SCHEMBL9003519 0.79 PTGS2 (0.35)
SCHEMBL9003645 0.73 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL8855000 0.73 MAPT (0.47) ALDH1A1MEN1KMT2A
SCHEMBL9003692 0.72 PTGS2 (0.33)
SCHEMBL9003662 0.72 ALDH1A1 (0.35) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL9003378 0.71 LMNA (0.41) ALDH1A1MEN1KMT2A
SCHEMBL9003388 0.70 GSK3B (0.47) ALDH1A1MEN1KMT2A

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