Benzene

Benzene

SCHEMBL28099155

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

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.35

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
Benzene SCHEMBL27845982 1.00 TDP1 (0.80) TDP1BLMPMP22LMNAALOX15
Benzene SCHEMBL28190767 0.97 TDP1 (0.75) TDP1BLMPMP22LMNAALOX15
Acetic Acid SCHEMBL27675850 0.90 TDP1 (0.86) TDP1BLMPMP22LMNAALOX15
Carbamic Acid SCHEMBL27788832 0.90 TDP1 (0.86) TDP1BLMPMP22LMNAALOX15
SCHEMBL17842489 0.90 TDP1 (0.86) TDP1BLMPMP22LMNAALOX15
Bicarbonate SCHEMBL1415130 0.90 TDP1 (0.86) TDP1BLMPMP22LMNAALOX15
SCHEMBL14870 0.89
SCHEMBL2128293 0.89 TDP1 (1.00) TDP1BLMPMP22LMNAALOX15
SCHEMBL5708652 0.89 TDP1 (1.00) TDP1BLMPMP22LMNAALOX15
Benzene SCHEMBL11175968 0.89 TDP1 (0.63) TDP1BLMPMP22LMNAALOX15

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-105965881-A Three-dimensional modeling apparatus and three-dimensional object manufacturing method 精工爱普生株式会社 2016-09-28 CN disclosed