SCHEMBL28511468

SCHEMBL28511468

CC(C)(c1ccccc1)c1cccc(-c2cccc3nn(O)nc23)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
PTPN5 P54829 5/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
KIF11 P52732 1/20 0.31
PTAFR P25105 1/20 0.31
MET P08581 1/20 0.31
TACR3 P29371 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL8334072 0.92 CNR1 (0.37) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL28608544 0.88 KIF11 (0.43) PTPN5KDM4EHPGDATMRXRA
SCHEMBL1263567 0.81 MET (0.38) ALDH1A1KDM4EHPGDMETABCG2
SCHEMBL1643503 0.77 ENPP1 (0.41) ALDH1A1KDM4EMET
SCHEMBL28461145 0.76 NPC1 (0.35) ATM
SCHEMBL5474544 0.74 CNR1 (0.37) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL8645604 0.71 COMT (0.39) ALDH1A1KDM4EHPGDATM
SCHEMBL23421774 0.69 CNR1 (0.51) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL28423705 0.69 CNR1 (0.53) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL30416166 0.69 CNR1 (0.62) CNR1CNR2ESR1ESR2ALDH1A1

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
CN-112771108-A Stabilized rotomoulding polyolefins 巴斯夫欧洲公司 2021-05-07 CN disclosed
CN-112166148-A Flame retardant rotomolding polyolefin 巴斯夫欧洲公司 2021-01-01 CN disclosed