SCHEMBL27723924

SCHEMBL27723924

C[C](C)Cc1cccnc1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ CXCR4 P61073 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL29593270 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL360470 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5108741 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL5115647 0.80 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL1852816 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
Bromide SCHEMBL10767217 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL1852818 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL18304643 0.78 ALDH1A1 (0.48) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4061267 0.76 MAPT (0.52) L3MBTL1ALDH1A1KDM4EHTTMAPT
SCHEMBL18995127 0.76 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2AMEN1KDM4E

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
CN-101189243-A Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors ASTRAZENECA AB (SE) 2008-05-28 — — CN disclosed
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