SCHEMBL11077035

SCHEMBL11077035

ClN(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8061910 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL9777500 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ALOX15HTTKMT2A
Hydrochloric Acid SCHEMBL28212900 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ALOX15HTTKMT2A
Methane SCHEMBL27724325 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL128447 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1ALOX15HTTKMT2A
Hydrochloric Acid SCHEMBL11145966 0.78 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL6152609 0.77 ALDH1A1 (0.54) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL2197231 0.77 ALDH1A1 (0.54) ALDH1A1NPSR1ALOX15HTTKMT2A
Methylene Chloride SCHEMBL28194305 0.76 ALDH1A1 (0.44) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL5148350 0.75 ALDH1A1 (0.32) ALDH1A1NPSR1ALOX15HTTKMT2A

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-9354533-B2 Electrophotographic toner, two-component developer containing toner, and image forming apparatus RICOH COMPANY, LTD. (JP) 2016-05-31 US disclosed
US-20140080047-A1 ELECTROPHOTOGRAPHIC TONER, TWO-COMPONENT DEVELOPER CONTAINING TONER, AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2014-03-20 US disclosed
US-4452943-A ADDING NITRILE-CONTAINING MATERIAL TO NON-POLAR THERMOPLASTIC POLYMER GOLDMAN CONRAD 1984-06-05 US disclosed