SCHEMBL5450433

SCHEMBL5450433

C=CCNC(=S)Nc1ccccc1C(C)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5463769 0.79 MEN1 (0.64) KMT2AMEN1POLBMAPTLMNA
SCHEMBL5452769 0.76 MAPK1 (0.62) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL23375474 0.76 LMNA (0.68) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28820782 0.75 KMT2A (0.64) KMT2AMEN1POLBMAPTLMNA
SCHEMBL29000353 0.75 KMT2A (0.59) KMT2AMEN1POLBMAPTLMNA
SCHEMBL3065751 0.74 KMT2A (1.00) KMT2AMEN1POLBMAPTLMNA
SCHEMBL1647857 0.73 ALDH1A1 (0.69) KMT2AMEN1POLBMAPTLMNA
SCHEMBL5450468 0.71 HTT (0.66) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL28672816 0.71 TGM2 (0.49) MAPTLMNA
SCHEMBL9779689 0.70 KMT2A (0.57) KMT2AMEN1POLBMAPTLMNA

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed