SCHEMBL11209683

SCHEMBL11209683

COc1cccc([N+]#N)c1OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP1B1 Q16678 3/20 0.37
PRMT1 Q99873 1/20 0.37
CYP19A1 P11511 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8030768 1.00 NFE2L2 (0.41) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
SCHEMBL7895991 0.93 NFE2L2 (0.46) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
Hydrochloric Acid SCHEMBL11678337 0.91 NFE2L2 (0.45) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
SCHEMBL28211173 0.84 CYP1A1 (0.37) SMN1; SMN2CYP1A1CYP1B1CYP19A1KDM4E
SCHEMBL2687596 0.83 CA1 (0.46) NFE2L2SMN1; SMN2KMT2ACA12CA1
SCHEMBL16569577 0.80 SMN1; SMN2 (0.52) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
Nitrogen SCHEMBL28211174 0.79 SMN1; SMN2 (0.47) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
SCHEMBL28340993 0.78 SMN1; SMN2 (0.50) NFE2L2SMN1; SMN2KMT2AMEN1CYP1A1
SCHEMBL11216027 0.75 IRAK4 (0.36) CA1CA2CA7CA9
SCHEMBL2875595 0.74 CA1 (0.55) NFE2L2CA12CA1CA2CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038016-B1 LIGHT SENSITIVE VESICULAR MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-06 EP disclosed
EP-0038016-A1 Light sensitive vesicular material HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-21 EP disclosed