SCHEMBL8094742

SCHEMBL8094742

C/C(=N\c1c(C)cc([N+](=O)[O-])cc1C)c1cccc(/C(C)=N/c2c(C)cc([N+](=O)[O-])cc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 3/20 0.40
GPR35 Q9HC97 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX5 P09917 1/20 0.37
PKM P14618 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37

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
SCHEMBL8094745 1.00 ALDH1A1 (0.40) ALDH1A1TDP1TSHRGPR35KMT2A
SCHEMBL3917423 0.86 NOS1 (0.46) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL3917421 0.86 NOS1 (0.46) ALDH1A1TDP1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL3916794 0.84 NOS1 (0.44) ALDH1A1TDP1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL3916797 0.84 NOS1 (0.44) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL3921890 0.83 GRIN2D (0.51) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL3921886 0.83 GRIN2D (0.51) ALDH1A1TDP1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL3924751 0.81 GRIN2D (0.49) ALDH1A1TDP1TSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL3924753 0.81 GRIN2D (0.49) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL453477 0.80 HSP90AA1 (0.36) ALDH1A1TDP1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
EP-1059313-A1 Transition metal catalyst component for polymerization, aromatic vinyl compound-olefin copolymer and process for its production by means of the catalyst component DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-13 EP disclosed