SCHEMBL11744352

SCHEMBL11744352

COc1ccc(-c2nnc(N3CCN(C)CC3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
KMT2A Q03164 7/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
PTBP1 P26599 1/20 0.53
ALDH1A1 P00352 7/20 0.53
USP2 O75604 6/20 0.53
CASP1 P29466 6/20 0.53
CASP7 P55210 6/20 0.53
CYP1A2 P05177 5/20 0.53
HIF1A Q16665 4/20 0.53
HSD17B10 Q99714 4/20 0.53
MEN1 O00255 6/20 0.52
ALOX15 P16050 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 1/20 0.51
HRH4 Q9H3N8 2/20 0.49
TSHR P16473 3/20 0.48

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
SCHEMBL11744358 0.91 MAPT (0.59) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11746621 0.89 MAPT (0.56) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11742877 0.87 MEN1 (0.63) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11751124 0.84 TSHR (0.68) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11748786 0.84 MAPT (0.50) MAPTKMT2AKDM4EHPGDALDH1A1
SCHEMBL11748212 0.82 SCN9A (0.48) MAPTKMT2AKDM4EHPGDALDH1A1
SCHEMBL11751896 0.80 MAPT (0.55) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11750153 0.80 MEN1 (0.55) MAPTKMT2AKDM4EHPGDALDH1A1
SCHEMBL11747675 0.80 MAPT (0.45) MAPTKMT2AL3MBTL1KDM4EHPGD
SCHEMBL11745132 0.79 MEN1 (0.53) MAPTKMT2AL3MBTL1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US claimed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 US claimed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 US disclosed