SCHEMBL13475757

SCHEMBL13475757

Bc1cccc(C2(CCCC)NC(=N)N(CC3CCN(C(=O)C[C@@H](C)Cc4ccccc4)CC3)C2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
TNKS O95271 6/20 0.31
PARP1 P09874 6/20 0.31
TNKS2 Q9H2K2 6/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL17568792 0.88 KMT2A (0.38) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10305542 0.85 KMT2A (0.37) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7533087 0.78 KMT2A (0.40) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7524362 0.77 POLB (0.38) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10305569 0.76 KMT2A (0.36) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7536559 0.76 KMT2A (0.42) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7536976 0.76 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL7527644 0.72 POLB (0.46) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7532423 0.72 ADAMTS5 (0.43) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7528739 0.70 ATM (0.37) KMT2AALDH1A1LMNASMN1; SMN2KDM4E

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
EP-2153832-A2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-02-17 EP disclosed