SCHEMBL5077958

SCHEMBL5077958

Cc1nccn1CCNC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.45
NAMPT P43490 1/20 0.41
FDPS P14324 1/20 0.39
NOS1 P29475 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL811127 0.84 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL812138 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL3038961 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL10364646 0.79 MTNR1A (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL22472000 0.77 KMT2A (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL17355067 0.76 KMT2A (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL20690973 0.75 KMT2A (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL811674 0.75 KMT2A (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL8131223 0.75 ALDH1A1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL12304473 0.75 CYP1A2 (0.51) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329715-B2 Abrasion resistant coatings by siloxane oligomers YAZAKI CORPORATION (JP) 2008-02-12 US disclosed
US-20060235178-A1 Abrasion resistant coatings by siloxane oligomers STOWE WOODWARD LLC 2006-10-19 US disclosed