Fluoride

Fluoride

SCHEMBL29664116

F.O=C(O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
DAO P14920 2/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
SRD5A2 P31213 1/20 0.58
HSD17B10 Q99714 1/20 0.58
DDO Q99489 1/20 0.58
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
BRD4 O60885 1/20 0.53
SMYD3 Q9H7B4 2/20 0.51
PADI4 Q9UM07 2/20 0.50
CHEK1 O14757 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PARP1 P09874 1/20 0.49
GRIN2D O15399 1/20 0.47

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
SCHEMBL31394 0.98 KDM4E (0.59) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL29364659 0.98 KDM4E (0.59) KDM4EDAOMAPTHPGDSRD5A2
Hydrochloric Acid SCHEMBL5027809 0.96 KDM4E (0.58) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL27578750 0.88 KDM4E (0.49) KDM4EDAOMAPTHPGDSRD5A2
Glycerin SCHEMBL27539640 0.86 KDM4E (0.48) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL1367711 0.85 DAO (0.61) KDM4EDAOMAPTHPGDSRD5A2
Quinoline SCHEMBL11495860 0.84 PADI4 (0.50) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL16627746 0.82 DAO (0.58) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL29390425 0.82 DAO (0.58) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL5464080 0.82 DAO (0.58) KDM4EDAOMAPTHPGDSRD5A2

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-114539244-B Preparation method of moxifloxacin hydrochloride 沈阳药科大学 2023-04-14 CN disclosed
CN-114539244-A Preparation method of moxifloxacin hydrochloride 沈阳药科大学 2022-05-27 CN disclosed