SCHEMBL5078486

SCHEMBL5078486

CC(C)=Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 3/20 0.55
HTT P42858 3/20 0.55
ALOX12 P18054 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR2B P41595 1/20 0.54
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
MAPT P10636 8/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 2/20 0.50

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
SCHEMBL19018310 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL18356033 0.83 GRIN2D (0.53) TDP1HTTL3MBTL1MAPK1ADRA2A
SCHEMBL30271875 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL19018125 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL11352776 0.81 MAPT (0.50) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL14286928 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL19055575 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL14286934 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL486925 0.79 NOS1 (0.67) ALDH1A1TDP1ALOX12ALOX15SLC6A2
SCHEMBL19008847 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRTDP1CYP3A4

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
CN-119431154-A Method and system for preparing p-phenylenediamine anti-aging agent 中国石油化工股份有限公司 2025-02-14 CN disclosed
US-7323520-B2 Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes LANXESS DEUTSCHLAND GMBH (DE) 2008-01-29 US disclosed
US-20040087722-A1 Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes LANXESS DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed