SCHEMBL822533

SCHEMBL822533

N#COc1ccc(Cc2ccc(NC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(N=C=O)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SAE1 Q9UBE0 2/20 0.37

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
SCHEMBL12910980 0.98 TSHR (0.43) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL17232006 0.96 TSHR (0.46) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL12910967 0.91 MAPT (0.41) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL13411438 0.90 TSHR (0.54) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL13133314 0.90 TSHR (0.40) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL12948610 0.87 CYP3A4 (0.54) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL19214037 0.86 SAE1 (0.51) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL17281037 0.85 TSHR (0.49) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL7914054 0.85 TSHR (0.57) TSHRCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL12945964 0.84 SAE1 (0.53) TSHRCYP3A4NPC1RAB9ASMN1; SMN2

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
US-20230246192-A1 Elastomer-Protected Anode and Lithium Battery GLOBAL GRAPHENE GROUP, INC. (US) 2023-08-03 US disclosed
US-20230170482-A1 Elastomer-Protected Anode and Lithium-Ion Battery GLOBAL GRAPHENE GROUP, INC. (US) 2023-06-01 US disclosed
US-9109076-B2 Self-cleaning coatings THE UNIVERSITY OF WESTERN ONTARIO (CA) 2015-08-18 US disclosed
US-20120010314-A1 SELF-CLEANING COATINGS THE UNIVERSITY OF WESTERN ONTARIO (CA) 2012-01-12 US disclosed