SCHEMBL11070733

SCHEMBL11070733

CC(=O)Nc1nc(-c2ccccc2)c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)c2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL11068188 0.85 ALDH1A1 (0.40) ALDH1A1LMNARECQLKDM4EMEN1
SCHEMBL11065514 0.85 PKM (0.41) ALDH1A1LMNARECQLKDM4EMEN1
SCHEMBL11061056 0.81 MAPT (0.40) ALDH1A1LMNARECQLKDM4EMEN1
SCHEMBL11067372 0.78 TDP1 (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11071117 0.76 P2RX7 (0.43) LMNAKDM4EMEN1KMT2ACYP2C19
SCHEMBL11016235 0.75 ALDH1A1 (0.38) ALDH1A1LMNARECQLKDM4ESMN1; SMN2
SCHEMBL11060121 0.70 RAD52 (0.39) ALDH1A1RECQLKDM4EMEN1KMT2A
SCHEMBL11063254 0.69 PKM (0.38) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11064822 0.67 MAPT (0.41) ALDH1A1RECQLKDM4EMEN1KMT2A
SCHEMBL11062890 0.66 EGLN1 (0.36) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4

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
Send feedback