SCHEMBL18805573

SCHEMBL18805573

CCCN(CC)c1nc(N(CCC)COC)nc(N(COC)COC)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CRHR1 P34998 5/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC29A1 Q99808 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17122501 0.94 MAPT (0.47) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL16284291 0.91 CRHR1 (0.49) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL16638206 0.86 TDP1 (0.43) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL9975766 0.86 TDP1 (0.48) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL16844937 0.86 TDP1 (0.48) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL13202805 0.86 TDP1 (0.43) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL16284299 0.84 TDP1 (0.47) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL2693585 0.83 TDP1 (0.45) MAPTSMN1; SMN2CRHR1TSHRTDP1
SCHEMBL24113819 0.83 MAPT (0.42) MAPTSMN1; SMN2CRHR1SLC29A1MEN1
SCHEMBL13006380 0.81 TDP1 (0.48) MAPTSMN1; SMN2CRHR1TSHRTDP1

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-20170121470-A1 ENGINEERED CROSSLINKED THERMOPLASTIC PARTICLES FOR INTERLAMINAR TOUGHENING CYTEC TECHNOLOGY CORP. (US) 2017-05-04 US disclosed