SCHEMBL3213017

SCHEMBL3213017

c1ccc(NCc2c(C3c4ccccc4-c4ccccc43)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX12 P18054 2/20 0.42
HIF1A Q16665 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3203775 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1A2ALOX12HIF1A
SCHEMBL3209964 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2ALOX12HIF1A
SCHEMBL3200642 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2ALOX12CYP2C9
SCHEMBL3201527 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1A2ALOX12HIF1A
SCHEMBL3191592 0.76 BCHE (0.44) HSD17B10CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3845070 0.73 HIF1A (0.41) ALDH1A1HIF1AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3215554 0.72 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP1A2ALOX12CYP2C9
SCHEMBL6675754 0.72 KDM1A (0.53) ALDH1A1HSD17B10CYP1A2ALOX12MEN1
SCHEMBL16481156 0.72 KDM1A (0.48) ALDH1A1HSD17B10CYP1A2ALOX12GAA
Hydrochloric Acid SCHEMBL3261602 0.71 KMT2A (0.35) ALDH1A1HSD17B10CYP1A2HIF1ACYP2D6

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-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed