SCHEMBL2563755

SCHEMBL2563755

COC(=O)Oc1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.52
AURKA O14965 4/20 0.52
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HPGD P15428 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2564437 0.83 KMT2A (0.51) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2563427 0.80 KMT2A (0.48) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4498836 0.80 MAPT (0.51) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27808153 0.77 KDM4E (0.58) MAPTLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL12264890 0.77 MAPT (1.00) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6256569 0.71 AURKA (0.72) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2553897 0.71 MEN1 (0.58) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4501557 0.71 ALDH1A1 (0.82) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22095227 0.71 MAPT (0.88) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL976547 0.70 AURKA (0.74) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552895-B1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES Westfälische Wilhelms Universität Münster (DE) 2015-02-25 EP disclosed
EP-2552895-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES Westfälische Wilhelms-Universität Münster (DE) 2013-02-06 EP disclosed
WO-2011120861-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2011-10-06 WO disclosed