SCHEMBL9826562

SCHEMBL9826562

NC(Cc1ccccc1)Cc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.63
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ANPEP P15144 1/20 0.50
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
MIF P14174 1/20 0.42
CYP2D6 P10635 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL28656 0.79 EPHX1 (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL29077437 0.79 ALOX5 (0.42) MAPTL3MBTL1TAAR1GAAMEN1
SCHEMBL5650531 0.78 MAPT (0.51) MAPTL3MBTL1PKMGAAMIF
Hydrochloric Acid SCHEMBL9402300 0.77 EPHX1 (0.94) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL1993965 0.77 HTR2A (0.41) MAPTL3MBTL1SLC6A4GAAKMT2A
SCHEMBL29175498 0.76
SCHEMBL2035900 0.75 SLC1A3 (0.48) L3MBTL1PKMGAAMIFSLC1A3
SCHEMBL2029903 0.75 SLC1A3 (0.48) L3MBTL1PKMGAAMIFSLC1A3
SCHEMBL2029905 0.75 SLC1A3 (0.48) L3MBTL1PKMGAAMIFSLC1A3
SCHEMBL4667275 0.74 ALOX5 (0.42) MAPTL3MBTL1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed