SCHEMBL11745628

SCHEMBL11745628

COc1ccc(-c2nnc(N(C(C)C)C(C)C)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PTGES O14684 3/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR84 Q9NQS5 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ADORA1 P30542 2/20 0.38

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
SCHEMBL11747582 0.88 L3MBTL1 (0.37) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11747976 0.88 PTGES (0.43) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11749644 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11742743 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11744427 0.81 PTGES (0.42) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11749749 0.79 MAPT (0.40) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL11864433 0.79 PTGES (0.41) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11751925 0.78 CACNA2D1 (0.47) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11749033 0.77 PTGES (0.43) ALDH1A1L3MBTL1KDM4ETDP1LMNA
SCHEMBL11743527 0.77 MAPT (0.38) ALDH1A1KDM4ELMNANPSR1KMT2A

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-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — 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
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