Benzene

Benzene

SCHEMBL27690342

N=C(N)Nc1ccccc1C(=O)O.c1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MAPT P10636 1/20 0.57
CTSK P43235 1/20 0.57
MEN1 O00255 3/20 0.54
PKM P14618 1/20 0.54
DHODH Q02127 3/20 0.53
MASP2 O00187 1/20 0.53
CFD P00746 1/20 0.51
LMNA P02545 2/20 0.50
FABP4 P15090 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
PTGER4 P35408 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABCC1 P33527 2/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL233797 1.00 KMT2A (0.57) KMT2AMAPTCTSKMEN1PKM
Hydrochloric Acid SCHEMBL6013658 0.98 KMT2A (0.55) KMT2AMAPTCTSKMEN1PKM
Sulfuric Acid SCHEMBL5306744 0.92 KMT2A (0.50) KMT2AMAPTCTSKMEN1PKM
SCHEMBL8104027 0.92 KMT2A (0.50) KMT2AMAPTCTSKMEN1PKM
SCHEMBL7902232 0.92 KMT2A (0.50) KMT2AMAPTCTSKMEN1PKM
SCHEMBL9302227 0.90 KMT2A (0.49) KMT2AMAPTCTSKMEN1PKM
SCHEMBL9304069 0.87 DHODH (0.50) KMT2AMAPTCTSKMEN1PKM
SCHEMBL45762 0.86 KDM4E (0.60) KMT2AMAPTMEN1PKMLMNA
SCHEMBL30139987 0.86 KDM4E (0.60) KMT2AMAPTMEN1PKMLMNA
SCHEMBL6326283 0.86 KMT2A (0.62) KMT2AMAPTCTSKMEN1PKM

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-85104997-A Substituted guanidinobenzoic acid phenyl ester production method and its application as medicament 1986-12-31 CN claimed