SCHEMBL6065837

SCHEMBL6065837

Cn1ncc(NC(N)=O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
NTRK1 P04629 2/20 0.35
BRD4 O60885 2/20 0.35
BRD9 Q9H8M2 2/20 0.35
BPTF Q12830 1/20 0.35
KAT2B Q92831 1/20 0.35
NR3C2 P08235 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
VNN1 O95497 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL3119092 0.90 LPAR1 (0.38) LPAR1KDM4ENTRK1BRD4BRD9
SCHEMBL6425412 0.89 ALDH1A1 (0.37) LPAR1KDM4ENTRK1BRD4BRD9
SCHEMBL5500962 0.88 ADRA2C (0.39) LPAR1GAANTRK1BRD4BRD9
SCHEMBL6065834 0.88 LPAR1 (0.36) LPAR1NTRK1BRD4BRD9BPTF
SCHEMBL6425423 0.86 HPGD (0.40) KDM4EGAANTRK1MAPTKMT2A
SCHEMBL3111828 0.86 NTRK1 (0.36) LPAR1GAANTRK1BRD4BRD9
Carbamic Acid SCHEMBL5499998 0.86 CA1 (0.40) LPAR1KDM4EGAANTRK1BRD4
SCHEMBL3105963 0.84 ALDH1A1 (0.41) LPAR1KDM4EGAAMAPTKMT2A
SCHEMBL5497720 0.84 KDM4E (0.36) LPAR1KDM4EGAANTRK1BRD4
Carbamic Acid SCHEMBL3119184 0.84 BRD4 (0.32) LPAR1KDM4EGAANTRK1BRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1852715-A Cephem compounds ASTELLAS PHARMA INC (JP) 2006-10-25 CN disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed