Fluorobenzene

Fluorobenzene

SCHEMBL9759988

COc1nc(N=S(=O)=O)nc(OC)n1.Fc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ATM Q13315 3/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH3 Q9ULD8 1/20 0.33
CYP1A2 P05177 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAT2A P31153 1/20 0.33
USP2 O75604 3/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Chlorobenzene SCHEMBL9759344 0.84 MAT2A (0.38) MEN1KMT2AATMTSHRMAPT
SCHEMBL20653696 0.65 ALDH1A1 (0.65) MEN1KMT2ATSHRMAPTHSD17B10
SCHEMBL5198118 0.64 KMT2A (0.64) MEN1KMT2AATMTSHRMAPT
Fluorobenzene SCHEMBL27543512 0.64 NFE2L2 (0.43) MEN1KMT2ANPC1RAB9A
Fluorobenzene SCHEMBL27386177 0.64 CA4 (0.45) TSHRKCNH3CYP1A2ALDH1A1MAPK1
Fluorobenzene SCHEMBL29014020 0.63 KCNN4 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
Fluorobenzene SCHEMBL27568171 0.61
SCHEMBL20640073 0.61 CNR2 (0.50) NPC1RAB9A
Fluorobenzene SCHEMBL28646877 0.61 ALDH1A1 (0.38) MEN1KMT2AMAPTHSD17B10NPC1
SCHEMBL9866066 0.61 MEN1 (0.68) MEN1KMT2AATMTSHRMAPT

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-5006156-A Postemergene herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US claimed