Fluoride

Fluoride

SCHEMBL28811107

Cc1ccccc1-n1cnnn1.F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
NOTUM Q6P988 2/20 0.52
CPB1 P15086 1/20 0.46
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL436604 0.98 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL27602135 0.96 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL12615992 0.83 ALDH1A1 (0.68) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL18378771 0.83 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL27597122 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL15786407 0.76 KMT2A (0.66) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL17518817 0.76 KMT2A (0.61) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL16144650 0.76 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2AKDM4ENOTUM
SCHEMBL8540440 0.74 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL14242848 0.74 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E

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
CN-104086485-B Prepare the method for poly-substituted quinoline type aromatic ring pyridine derivate TSINGHUA UNIVERSITY (CN) 2016-03-30 CN disclosed
CN-104086485-A Method for preparing multi-substituted quinoline-type aromatic ring pyridine derivatives UNIV TSINGHUA 2014-10-08 CN disclosed