SCHEMBL22320975

SCHEMBL22320975

C[n+]1csc2ccccc21.F[P-](F)(F)(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRB2 P07550 2/20 0.33
ADRB1 P08588 1/20 0.33
INSR P06213 1/20 0.31
ACHE P22303 1/20 0.30
SNCA P37840 1/20 0.30

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
SCHEMBL2271462 0.92 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL29496561 0.92 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDMEN1
Iodide SCHEMBL29496722 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDMEN1
Iodide SCHEMBL6093239 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDMEN1
Bromide SCHEMBL9694606 0.90 MAPT (0.48) KDM4EALDH1A1MAPTHPGDMEN1
Hydrochloric Acid SCHEMBL7776252 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDMEN1
Iodide SCHEMBL2234372 0.90 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL6754886 0.88 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDMEN1
Perchlorate SCHEMBL142055 0.84 MAPT (0.41) KDM4EALDH1A1MAPTHPGDMEN1
Perchlorate SCHEMBL29551365 0.84 MAPT (0.41) KDM4EALDH1A1MAPTHPGDMEN1

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-11359975-B2 Using ionic liquids in a programmable sensor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-06-14 US disclosed
US-20200256744-A1 USING IONIC LIQUIDS IN A PROGRAMMABLE SENSOR INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-08-13 US disclosed