SCHEMBL11064822

SCHEMBL11064822

CC(C)(C)C(=O)OCCc1c(-c2ccccc2)nc(N)n2ncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SRC P12931 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ VCP P55072 2/20 0.35
▸ HSD17B10 Q99714 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34

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
SCHEMBL11060121 0.89 RAD52 (0.39) MAPTMEN1KMT2ARECQLCSNK1D
SCHEMBL11061056 0.85 MAPT (0.40) MAPTMEN1KMT2AGBA1RECQL
SCHEMBL11071024 0.84 FAAH (0.36) MAPTCSNK1DHPGDTSHRHSD17B10
Bemitradine SCHEMBL121173 0.81 KDM4E (0.36) MAPTMEN1KMT2ASRCABL1
SCHEMBL11068188 0.79 ALDH1A1 (0.40) MEN1KMT2ARECQLALDH1A1HPGD
SCHEMBL9378832 0.79 ALDH1A1 (0.36) MAPTMEN1KMT2ASRCABL1
SCHEMBL9381563 0.77 ADORA2A (0.35) MAPTSRCABL1ALDH1A1SMN1; SMN2
SCHEMBL11070935 0.74 ADORA2A (0.35) MAPTMEN1KMT2ASRCABL1
SCHEMBL11065514 0.74 PKM (0.41) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL11069949 0.72 KMT2A (0.37) MAPTMEN1KMT2ASRCCSNK1D

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
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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