SCHEMBL21993451

SCHEMBL21993451

CN1C=CC(=C2C=CN(I)C=C2)C=C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
Bromide SCHEMBL31051045 0.82 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL31376357 0.82 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL6901197 0.82 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
SCHEMBL16649164 0.67 MEN1 (0.62) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL30758782 0.67 MEN1 (0.62) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL30184811 0.64 MEN1 (0.56) MEN1KMT2ATDP1NPC1TP53
SCHEMBL30241688 0.64 MEN1 (0.56) MEN1KMT2ATDP1NPC1TP53
SCHEMBL31065590 0.55 MEN1 (0.47) MEN1KMT2ATDP1
SCHEMBL23346845 0.53
SCHEMBL22274836 0.53

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
US-12040489-B2 Use of a battery with polyviologen active material COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2024-07-16 US disclosed
US-20200152984-A1 USE OF A BATTERY WITH POLYVIOLOGEN ACTIVE MATERIAL NANTES UNIVERSITE (FR) 2020-05-14 US disclosed