SCHEMBL13256604

SCHEMBL13256604

CCN(CNC(N)=O)C(=O)c1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 9/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 6/20 0.46
TP53 P04637 1/20 0.42
CFTR P13569 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.40
RCE1 Q9Y256 1/20 0.38
ABCC1 P33527 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6371982 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL13256585 0.80 HPGD (0.58) ALDH1A1HPGDLMNAMAPT
SCHEMBL6372806 0.78 TP53 (0.66) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL17786077 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL7059927 0.74 TP53 (0.76) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL23891117 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL3628079 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL9036669 0.72 TP53 (0.61) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL9566017 0.72 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL29822323 0.71 TP53 (0.69) ALDH1A1HPGDTP53TSHRMAPK1

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-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed