SCHEMBL12723136

SCHEMBL12723136

CCN(CCC(N)=O)c1ccc(N=C2C=C(NC(=O)C3CCCO3)C(=O)C(Cl)=C2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 5/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 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
SCHEMBL92454 0.90 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL14417197 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL14417199 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EHPGDHTT
SCHEMBL12764844 0.76 POLB (0.36) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL21665465 0.76 POLB (0.36) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL10000297 0.76 POLB (0.36) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL17342959 0.75 GFER (0.36) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL14141418 0.74 MAPT (0.42) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL13726088 0.74 MAPT (0.36) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL10056665 0.73 MAPT (0.39) ALDH1A1MAPTKDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932210-B2 Image-forming method using thermal transfer system FUJIFILM CORPORATION (JP) 2011-04-26 US disclosed
US-20090196141-A1 OPTICAL RECORDING MEDIUM, METHOD FOR UTILIZING DYE COMPOUND AND VISIBLE INFORMATION RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-08-06 US disclosed
US-20080081766-A1 IMAGE-FORMING METHOD USING HEAT-SENSITIVE TRANSFER SYSTEM FUJIFILM CORPORATION (JP) 2008-04-03 US disclosed
US-20070213217-A1 Image-forming method using thermal transfer system FUJIFILM CORPORATION (JP) 2007-09-13 US disclosed