SCHEMBL9858733

SCHEMBL9858733

CCCCCCCCCCCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1.CCCCCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.54
NR5A1 Q13285 1/20 0.50
PTPN1 P18031 1/20 0.49
PDK2 Q15119 1/20 0.46
RARB P10826 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK10 P53779 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
LTA4H P09960 1/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL29353612 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL7125656 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL29407435 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL4215764 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL1467411 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL38951 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL29446143 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL1468260 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL7887565 1.00 PTPN11 (0.54) PTPN11NR5A1PTPN1PDK2RARB
SCHEMBL3690940 0.99 PTPN11 (0.52) PTPN11NR5A1PTPN1PDK2LMNA

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-0434608-A1 Stabilized organic material CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed