Benzene

Benzene

SCHEMBL734439

NCc1ccc(CN)cc1.c1ccccc1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.80
TAAR1 Q96RJ0 1/20 0.72
HRH3 Q9Y5N1 1/20 0.69
ABAT P80404 1/20 0.61
ADRB2 P07550 1/20 0.52
MAOB P27338 1/20 0.52
F10 P00742 1/20 0.50
F11 P03951 1/20 0.50
LTA4H P09960 1/20 0.50
PNMT P11086 1/20 0.50
ENPP2 Q13822 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL15828 0.92 HRH3 (0.79) LOXL2TAAR1HRH3ABATADRB2
Benzylamine SCHEMBL373 0.89
Benzylamine SCHEMBL10707644 0.89 LOXL2 (1.00) LOXL2TAAR1HRH3ABATMAOB
Benzylamine SCHEMBL5481672 0.89 LOXL2 (1.00) LOXL2TAAR1HRH3ABATMAOB
SCHEMBL19242392 0.89 LOXL2 (1.00) LOXL2TAAR1HRH3ABATMAOB
Benzylamine SCHEMBL1331207 0.89
Bromide SCHEMBL29198706 0.88 HRH3 (0.73) LOXL2TAAR1HRH3ABATADRB2
Iodide SCHEMBL28395414 0.88 HRH3 (0.73) LOXL2TAAR1HRH3ABATADRB2
Iodide SCHEMBL29191162 0.88 HRH3 (0.73) LOXL2TAAR1HRH3ABATADRB2
Hydrochloric Acid SCHEMBL3168189 0.88 HRH3 (0.73) LOXL2TAAR1HRH3ABATADRB2

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