SCHEMBL19254065

SCHEMBL19254065

CCCNCCN(CCNC)CCNCCNCCNCCNCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA12 O43570 4/20 0.42
CA6 P23280 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
LMNA P02545 2/20 0.42
CA3 P07451 2/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.39

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
SCHEMBL12556425 0.96 CYP2C19 (0.47) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL19401300 0.93 CYP2C9 (0.44) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL23489646 0.92 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL23489715 0.92 CYP2C19 (0.54) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL14032022 0.90 CYP2C19 (0.48) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL13398532 0.90 CYP2C19 (0.52) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL20365193 0.90 CYP2C19 (0.56) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL12556866 0.90 CYP2C19 (0.56) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL16672010 0.90 CYP2C9 (0.41) CYP2C19CYP2C9CA12CA6CA7
SCHEMBL17370964 0.90 CYP2C9 (0.41) CYP2C19CYP2C9CA12CA6CA7

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-9732213-B2 Rheology modifier compositions and methods of use RHODIA OPERATIONS (FR) 2017-08-15 US disclosed