SCHEMBL11063254

SCHEMBL11063254

CCCC(=O)OC(Cc1c(-c2ccccc2)nc(NC(C)=O)n2ncnc12)OC(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL11069949 0.85 KMT2A (0.37) KDM4EMAPTTDP1ALDH1A1MEN1
SCHEMBL11067372 0.78 TDP1 (0.41) PKMMAPTTDP1MEN1CYP1A2
SCHEMBL11065514 0.77 PKM (0.41) PKMKDM4EMAPTNPSR1ALDH1A1
SCHEMBL11061056 0.74 MAPT (0.40) PKMKDM4EMAPTALDH1A1LMNA
SCHEMBL11071117 0.69 P2RX7 (0.43) PKMKDM4EMAPTTDP1LMNA
SCHEMBL11062890 0.65 EGLN1 (0.36) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11071024 0.59 FAAH (0.36) KDM4EMAPTTDP1LMNANR4A2
SCHEMBL15912075 0.58 ADORA3 (0.50) PKMKDM4EMAPTNPSR1ALDH1A1
SCHEMBL1203167 0.58 CRHBP (0.50) KDM4ENPSR1ALDH1A1LMNAMEN1
SCHEMBL11064822 0.58 MAPT (0.41) KDM4EMAPTNPSR1ALDH1A1MEN1

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
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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