Benzene

Benzene

SCHEMBL6243713

O=C(N=S(=O)=O)Nc1ccccc1.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CYP1A2 P05177 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TGM2 P21980 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL1729493 1.00 EPHX2 (0.54) EPHX2TP53EPHX1TSHRCDK9
Chlorobenzene SCHEMBL6238802 0.91 RAB9A (0.50) EPHX2TP53EPHX1TSHRCDK9
Chlorobenzene SCHEMBL9486505 0.85 ALDH1A1 (0.49) EPHX1TSHRSMN1; SMN2CYP1A2NPSR1
SCHEMBL5313666 0.80 SMN1; SMN2 (0.56) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL9442134 0.80 MEN1 (0.49) EPHX2RAB9AGAAMAPTPKM
SCHEMBL10457010 0.79 EPHX2 (0.61) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11650361 0.79 EPHX2 (0.61) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL27757237 0.79 CA12 (0.43) EPHX2EPHX1
SCHEMBL27562010 0.79 TDP1 (0.55) SMN1; SMN2NPC1RAB9ATGM2MAPT
SCHEMBL20420657 0.79 F2 (0.59) TSHRSMN1; SMN2GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314574-B1 Method of fixing a thermosensitive recording material OJI PAPER CO (JP) 2005-07-06 EP disclosed
EP-0949087-B1 Heat-fixable thermosensitive recording material OJI PAPER CO (JP) 2003-09-17 EP disclosed
EP-1314574-A1 Thermosensitive recording material of heat fixing type and method of fixing the same OJI PAPER CO., LTD. (JP) 2003-05-28 EP disclosed
US-6335306-B1 SUBBING LAYER OF COLOR DEVELOPABILITY REDUCING AGENT AND IMAGE-FORMING LAYER OF COLORLESS OR LIGHT-COLORED DYE PRECURSOR AND COLOR-DEVELOPER; HEATED AND FIXED AT HIGH TEMPERATURE, IMAGE HAS HIGH SOLVENT RESISTANCE, IMAGE CLARITY OJI PAPER CO., LTD. (JP) 2002-01-01 US disclosed
EP-0949087-A1 Heat-fixable thermosensitive recording material OJI PAPER CO., LTD. (JP) 1999-10-13 EP disclosed