SCHEMBL7158256

SCHEMBL7158256

CCN(/C=C/O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 4/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PSMD14 O00487 1/20 0.50
RECQL P46063 1/20 0.50
GFER P55789 1/20 0.50
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKCI P41743 1/20 0.38
MAPT P10636 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 1/20 0.38
ACHE P22303 2/20 0.37
ESRRG P62508 1/20 0.35

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
SCHEMBL7158257 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL22524514 0.82 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL17635948 0.78 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL16883820 0.76 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL459307 0.69 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL6320611 0.68 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL33781 0.68 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL8467252 0.68 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL970321 0.66 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL28895493 0.66 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605440-B2 Multilayer analytical element; colorimetric analysis IMI INTERNATIONAL MEDICAL INNOVATIONS INC. (CA) 2003-08-12 US claimed
US-20010007773-A1 METHOD FOR DETERMINING ANALYTE LEVEL MIRACULINS INC. (CA) 2001-07-12 US claimed
US-6605440-B2 Multilayer analytical element; colorimetric analysis IMI INTERNATIONAL MEDICAL INNOVATIONS INC. (CA) 2003-08-12 US disclosed
US-20010007773-A1 METHOD FOR DETERMINING ANALYTE LEVEL MIRACULINS INC. (CA) 2001-07-12 US disclosed
EP-0797774-A1 MULTILAYER ANALYTICAL ELEMENT 2860601 Canada Inc. (CN) 1997-10-01 EP disclosed
WO-1996018898-A1 MULTILAYER ANALYTICAL ELEMENT 2860601 CANADA INC. (CA) 1996-06-20 WO disclosed