SCHEMBL6744179

SCHEMBL6744179

CONc1cnn2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 7/20 0.47
IRAK4 Q9NWZ3 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
RIPK2 O43353 1/20 0.40
LCK P06239 1/20 0.40
LMNA P02545 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.40
NTRK1 P04629 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18879064 0.80 EPHB3 (0.50) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL30009953 0.71 EPHB3 (0.63) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL21436533 0.71 EPHB3 (0.63) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL6744058 0.71 EPHB3 (0.52) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL7815854 0.70 IRAK4 (0.46) EPHB3IRAK4LMNAHTTNTRK1
SCHEMBL21436566 0.70 EPHB3 (0.54) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL1863799 0.70 NPC1 (0.58) EPHB3IRAK4NPC1RAB9ARIPK2
SCHEMBL84746 0.70 NPC1 (0.47) EPHB3NPC1RAB9ARIPK2LCK
SCHEMBL4285576 0.70 CCNK (0.43) EPHB3NPC1RAB9ARIPK2LCK
SCHEMBL7824397 0.69 EPHB3 (0.47) EPHB3NPC1RAB9ARIPK2LCK

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-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed