SCHEMBL20124939

SCHEMBL20124939

CCCCCCCc1cc(OC)cc(-n2nnnc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 5/20 0.38
CNR2 P34972 5/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
CASP3 P42574 1/20 0.37

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
SCHEMBL17550642 0.84 LMNA (0.43) LMNAALDH1A1RAB9AS1PR4TP53
SCHEMBL15786414 0.75 RAB9A (0.44) PTGS2L3MBTL1LMNAALDH1A1RAB9A
SCHEMBL31185803 0.74 PTGS2 (0.73) PTGS2ALDH1A1CNR1CNR2GPR84
SCHEMBL18586439 0.74 PTGS2 (0.73) PTGS2ALDH1A1CNR1CNR2GPR84
SCHEMBL31185907 0.74 PTGS2 (0.73) PTGS2ALDH1A1CNR1CNR2GPR84
SCHEMBL31185832 0.74 PTGS2 (0.73) PTGS2ALDH1A1CNR1CNR2GPR84
SCHEMBL1633455 0.73 LMNA (0.43) PTGS2LMNAALDH1A1RAB9AS1PR4
SCHEMBL1171756 0.72 PTGS2 (0.76) PTGS2ALDH1A1CNR1CNR2GPR84
SCHEMBL8229999 0.72 PTGS2 (0.65) PTGS2CNR1CNR2GPR84FUT7
SCHEMBL15783494 0.70 NOTUM (0.42) PTGS2LMNAALDH1A1RAB9AS1PR4

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-2970275-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed