SCHEMBL21005693

SCHEMBL21005693

CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCCCSCCN1C(=O)c3cccc4c(NCCCN(C)C)ccc(c34)C1=O)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.64
KDR P35968 2/20 0.64
PDGFRA P16234 1/20 0.64
POLB P06746 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 2/20 0.62
RGS12 O14924 1/20 0.62
USP2 O75604 1/20 0.62
MAPK1 P28482 1/20 0.62
ATM Q13315 1/20 0.62
TLR9 Q9NR96 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
DYRK3 O43781 1/20 0.55
RPS6KB1 P23443 1/20 0.55
EPHA2 P29317 1/20 0.55
FLT4 P35916 1/20 0.55

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
SCHEMBL339370 0.90 POLB (0.64) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL17228671 0.87 FGFR1 (0.83) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL14817849 0.86 KMT2A (0.71) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL12463506 0.85 POLB (0.66) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL16070427 0.85 FGFR1 (0.60) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL15587279 0.85 POLB (0.58) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL12463638 0.85 POLB (0.58) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL13964070 0.83 FGFR1 (0.56) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL15810331 0.83 FGFR1 (0.66) FGFR1KDRPDGFRAPOLBMEN1
SCHEMBL14392765 0.83 FGFR1 (0.56) FGFR1KDRPDGFRAPOLBMEN1

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
EP-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 EP disclosed