SCHEMBL7048598

SCHEMBL7048598

CCCc1csc2ncnc(N3CCN(C(C=O)c4ccccc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 7/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7053533 0.81 HTT (0.56) KMT2ALMNAMEN1MAPTTSHR
SCHEMBL7046729 0.78 ALDH1A1 (0.43) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL7048623 0.77 HTT (0.67) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL7062034 0.76 KMT2A (0.53) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL5851166 0.76 P2RY12 (0.61) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL7046754 0.73 ALDH1A1 (0.48) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL7051744 0.72 HTT (0.53) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL7052962 0.72 KMT2A (0.40) KMT2ALMNAMAPK1MEN1MAPT
SCHEMBL7055758 0.70 TP53 (0.45) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL5849182 0.69 KMT2A (0.53) KMT2ALMNAMAPK1MEN1MAPT

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
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed