Aniline

Aniline

SCHEMBL4656439

Bc1cccc2ccc3cc4ccccc4cc3c12.Nc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
HSD17B10 Q99714 7/20 0.41
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 4/20 0.41
MAOA P21397 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 5/20 0.35
CYP1B1 Q16678 2/20 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
SCHEMBL188027 0.89 CYP1A2 (0.48) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL10611693 0.88 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL3175611 0.88 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL1109655 0.88 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
Ammonia Solution, Strong SCHEMBL7751725 0.88 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL3175604 0.88 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
Ethylamine SCHEMBL728739 0.83 CYP1A2 (0.41) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL1988953 0.83 CYP1A2 (0.41) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL88153 0.83 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
Trimethylammonium SCHEMBL87962 0.83 CYP1A2 (0.43) ALDH1A1HSD17B10CYP3A4HIF1ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999165-B9 TRANSITION METAL COMPLEX, CATALYST COMPOSITION INCLUDING THE SAME AND OLEFIN POLYMER USING CATALYST COMPOSITION LG CHEMICAL LTD (KR) 2013-09-11 EP disclosed
EP-1999165-B1 TRANSITION METAL COMPLEX, CATALYST COMPOSITION INCLUDING THE SAME AND OLEFIN POLYMER USING CATALYST COMPOSITION LG CHEMICAL LTD (KR) 2013-04-24 EP disclosed
EP-1999165-A1 TRANSITION METAL COMPLEX, CATALYST COMPOSITION INCLUDING THE SAME AND OLEFIN POLYMER USING CATALYST COMPOSITION LG Chem, Ltd. (KR) 2008-12-10 EP disclosed
WO-2007111423-A1 TRANSITION METAL COMPLEX, CATALYST COMPOSITION INCLUDING THE SAME AND OLEFIN POLYMER USING CATALYST COMPOSITION LG CHEM, LTD. (KR) 2007-10-04 WO disclosed