Benzene

Benzene

SCHEMBL734438

NCc1ccccc1CN.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.62
PNMT P11086 3/20 0.60
LOXL2 Q9Y4K0 3/20 0.56
TAAR1 Q96RJ0 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR2A P28223 3/20 0.44
CYP2A6 P11509 2/20 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
SCHEMBL29405036 0.96 PNMT (0.63) DPP4PNMTLOXL2TAAR1SMN1; SMN2
SCHEMBL15247 0.96 PNMT (0.63) DPP4PNMTLOXL2TAAR1SMN1; SMN2
SCHEMBL29212543 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Iodide SCHEMBL28958724 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4742482 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Water SCHEMBL7618285 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Water SCHEMBL6142580 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL30297049 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2522138 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL31276815 0.93 PNMT (0.60) DPP4PNMTLOXL2TAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO disclosed