SCHEMBL14628298

SCHEMBL14628298

COC(=O)c1[nH]c(C(=O)OC)c(C2CNc3ncccc32)c1-c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ PDE1C Q14123 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CDK7 P50613 2/20 0.34
▸ CCNH P51946 2/20 0.34
▸ MNAT1 P51948 2/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GPR84 Q9NQS5 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
SCHEMBL12658224 0.80 PIM1 (0.55) MAPTHTTALPLNR4A2CREBBP
SCHEMBL14215611 0.78 NR4A2 (0.43) MAPTHTTALPLNR4A2MEN1
Lycogarubin C SCHEMBL12658123 0.78 NR4A2 (0.59) MAPTHTTALPLNR4A2CREBBP
Lycogarubin C SCHEMBL30742812 0.78 NR4A2 (0.59) MAPTHTTALPLNR4A2CREBBP
SCHEMBL14628490 0.74 HTR2A (0.40) MAPTHTTALPLMEN1KMT2A
Lycogarubin B SCHEMBL31061720 0.70 HTT (0.50) MAPTHTTALPLNR4A2CREBBP
SCHEMBL12658127 0.70 NR4A2 (0.57) MAPTHTTALPLNR4A2CREBBP
Lynamicin E SCHEMBL12658018 0.69 NR4A2 (0.56) MAPTHTTALPLNR4A2CREBBP
SCHEMBL12658025 0.69 ALPL (0.49) MAPTHTTALPLNR4A2CREBBP
SCHEMBL12658122 0.69 MAPT (0.49) MAPTHTTALPLNR4A2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166634-B2 Bis-indole pyrroles useful as antimicrobials agents NEREUS PHARMACEUTICALS, INC. (US) 2007-01-23 — — US disclosed
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