SCHEMBL28347361

SCHEMBL28347361

C=C(N=[N+]=[N-])c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 0.36
TUBA3E Q6PEY2 4/20 0.36
TUBA1A Q71U36 4/20 0.36
TUBA1C Q9BQE3 4/20 0.36
TUBB6 Q9BUF5 4/20 0.36
TUBB2B Q9BVA1 4/20 0.36
TUBB1 Q9H4B7 4/20 0.36
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL28199752 0.87 BCAT2 (0.43) MEN1KMT2AHTTBCAT2
SCHEMBL28350699 0.84 SLC6A4 (0.45) SLC6A4SLC6A3PTGS2PTGS1ALDH1A3
SCHEMBL28363445 0.84 GAA (0.43)
SCHEMBL28199177 0.82 MAPT (0.38) SLC6A4SLC6A3ALDH1A3MAPTPDK2
SCHEMBL28350925 0.81 ABL1 (0.44) SLC6A4SLC6A3TUBB4ATUBBTUBA3C
SCHEMBL28366720 0.81 RORB (0.37) MAPTCDK4CCND1MEN1NPC1
SCHEMBL28363161 0.77 BRD9 (0.32)
SCHEMBL28514275 0.76 CES2 (0.42) MAPTMEN1NPC1KMT2A
SCHEMBL28199201 0.75 HNF4A (0.40) MEN1KMT2ABCAT2
SCHEMBL28280696 0.74 PDCD1 (0.42) MEN1KMT2AHTR7BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110714208-B Method for preparing 6- (sulfonyl methyl) phenanthridine compound through electrocatalysis 常州工学院 2020-12-29 CN claimed
CN-110714208-A Method for preparing 6- (sulfonyl methyl) phenanthridine compound through electrocatalysis 常州工学院 2020-01-21 CN claimed
CN-110714208-B Method for preparing 6- (sulfonyl methyl) phenanthridine compound through electrocatalysis 常州工学院 2020-12-29 CN disclosed
CN-110714208-A Method for preparing 6- (sulfonyl methyl) phenanthridine compound through electrocatalysis 常州工学院 2020-01-21 CN disclosed