SCHEMBL2301129

SCHEMBL2301129

C=CCNC(=O)C1CN(O)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8313919 0.79
SCHEMBL29043353 0.76 KMT2A (0.84) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL23861292 0.76 KMT2A (0.84) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL2301489 0.76 KMT2A (0.70) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL11015380 0.74 KMT2A (0.81) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL6075378 0.72 KMT2A (0.63) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL6152527 0.72 KMT2A (0.81) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL27731718 0.72 KMT2A (0.68) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL2981069 0.70 KMT2A (0.61) KMT2ANPSR1ALDH1A1KDM4ETSHR
SCHEMBL9906306 0.70 KMT2A (0.61) KMT2ANPSR1ALDH1A1KDM4ETSHR

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-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed