Benzene

Benzene

SCHEMBL27363644

S.c1ccccc1.c1ccncc1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.90
NAPRT Q6XQN6 1/20 0.90
TDP1 Q9NUW8 1/20 0.90
NOTUM Q6P988 1/20 0.39
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 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
Pyridine SCHEMBL2845994 1.00
Pyridine SCHEMBL2236054 1.00
Pyridine SCHEMBL1361154 1.00 TSHR (0.90) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL730865 1.00 TSHR (0.90) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL8709944 0.95 TSHR (0.82) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL10894137 0.95 TSHR (0.82) TSHRNAPRTTDP1NOTUMSLC6A2
Pyridine SCHEMBL27402260 0.95
Pyridine SCHEMBL28814972 0.95
Pyridine SCHEMBL27503566 0.95
Pyridine SCHEMBL27618775 0.95

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-1056840-C Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2000-09-27 CN disclosed
CN-1143639-A Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-02-26 CN disclosed