Benzene

Benzene

SCHEMBL28239358

NC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1.c1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
PARP1 P09874 2/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PARP10 Q53GL7 8/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
KMT2A Q03164 3/20 0.43
PARP15 Q460N3 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PARP4 Q9UKK3 2/20 0.43
PARP14 Q460N5 1/20 0.43

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
SCHEMBL174536 0.96 PARP10 (0.46) MAPTPARP1TSHRPOLBCYP3A4
Oxalic Acid SCHEMBL27509979 0.94 PARP1 (0.46) MAPTPARP1TSHRPOLBCYP3A4
SCHEMBL28344986 0.94 PARP10 (0.45) MAPTPARP1TSHRPOLBCYP3A4
Hydrazine SCHEMBL28084706 0.94 PARP10 (0.45) MAPTPARP1TSHRPOLBCYP3A4
Hydrochloric Acid SCHEMBL27677598 0.94 PARP10 (0.45) MAPTPARP1TSHRPOLBCYP3A4
Water SCHEMBL27561730 0.94 PARP10 (0.45) MAPTPARP1TSHRPOLBCYP3A4
Urea SCHEMBL11673195 0.94 PARP10 (0.45) MAPTPARP1TSHRPOLBCYP3A4
Terephthalic Acid SCHEMBL28640934 0.92 PARP10 (0.53) MAPTPARP1TSHRPOLBCYP3A4
Benzoic Acid SCHEMBL28100077 0.91 TSHR (0.55) MAPTPARP1TSHRPOLBCYP3A4
SCHEMBL1460416 0.90 CA12 (0.48) MAPTPARP1TSHRPOLBCYP3A4

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-110291020-A Medical Devices packaging with opening features 波士顿科学国际有限公司 2019-09-27 CN disclosed
CN-108473780-A Conductive composition, its manufacturing method and conductive material 东洋油墨SC控股株式会社 2018-08-31 CN disclosed