Fluoride

Fluoride

SCHEMBL11799148

COc1cccc(NC(=O)O)c1.F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
NPC1 O15118 6/20 0.69
NLRP3 Q96P20 1/20 0.69
TP53 P04637 2/20 0.66
TSHR P16473 2/20 0.66
RXFP1 Q9HBX9 1/20 0.66
MITF O75030 1/20 0.65
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
PKM P14618 1/20 0.64
USP2 O75604 1/20 0.63
MEN1 O00255 2/20 0.61
MAPT P10636 2/20 0.61
TRPV1 Q8NER1 1/20 0.61
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL2095227 0.98 RAB9A (0.71) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL31728556 0.98 RAB9A (0.71) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL4893387 0.85 TP53 (0.87) RAB9ANPC1TP53TSHRRXFP1
SCHEMBL31040569 0.85 TP53 (0.87) RAB9ANPC1TP53TSHRRXFP1
Acetic Acid SCHEMBL28264765 0.84 MTNR1A (0.74) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL14442613 0.84 TP53 (0.84) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL29875454 0.84 MTNR1A (0.79) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL2096261 0.84 TP53 (0.68) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL2095225 0.84 TP53 (0.68) RAB9ANPC1NLRP3TP53TSHR
SCHEMBL171425 0.84 MTNR1A (0.79) RAB9ANPC1NLRP3TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3983172-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 US disclosed