Benzene

Benzene

SCHEMBL27468461

Oc1ccccc1S.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CA2 P00918 5/20 0.53
HPGD P15428 4/20 0.53
CA4 P22748 4/20 0.53
MAPT P10636 3/20 0.53
CA12 O43570 3/20 0.53
CA14 Q9ULX7 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
CA3 P07451 2/20 0.53
EGFR P00533 2/20 0.53
FYN P06241 2/20 0.53
MMP9 P14780 2/20 0.53
RECQL P46063 2/20 0.53
NPC1 O15118 2/20 0.53
GMNN O75496 1/20 0.53

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
SCHEMBL30194125 0.97
SCHEMBL63008 0.97
SCHEMBL28195616 0.94
SCHEMBL29390890 0.94
SCHEMBL28085161 0.94
Methane SCHEMBL2954480 0.94
SCHEMBL28619774 0.94
SCHEMBL28240431 0.94
SCHEMBL31328386 0.94
SCHEMBL28225823 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101982170-B Amide compound and application thereof in preparing monoamine oxidase inhibitor UNIV ZHEJIANG TECHNOLOGY 2012-02-29 CN disclosed
CN-101982170-A Amide compound and application thereof in preparing monoamine oxidase inhibitor UNIV ZHEJIANG TECHNOLOGY 2011-03-02 CN disclosed
CN-1152108-C Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage 中国科学院感光化学研究所 2004-06-02 CN disclosed
CN-1328108-A Arylheterocycle substituted naphthopyran-type photochromic compound and its preparing process and usage INST PHOTOSENSITIVE CHEMISTRY CAS (CN) 2001-12-26 CN disclosed