Benzene

Benzene

SCHEMBL28185809

C.CCc1nccn1C.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
FDPS P14324 1/20 0.43
LPO P22079 1/20 0.41
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
TSHR P16473 2/20 0.36
TLR8 Q9NR97 2/20 0.36

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
SCHEMBL48663 0.93
Hydrochloric Acid SCHEMBL720759 0.91
Iodide SCHEMBL720868 0.91
Hydrochloric Acid SCHEMBL7027508 0.91 FDPS (0.46) KMT2AMEN1FDPSLPOHTT
Water SCHEMBL15333942 0.91
Bromide SCHEMBL273017 0.91
Phosphine SCHEMBL28868433 0.91
Fluoride SCHEMBL28144930 0.91
Hydrochloric Acid SCHEMBL28322581 0.91 FDPS (0.46) KMT2AMEN1FDPSLPOHTT
Hydrochloric Acid SCHEMBL15408421 0.89 FDPS (0.44) KMT2AMEN1FDPSLPOHTT

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
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN claimed