SCHEMBL6568402

SCHEMBL6568402

O=C(N[C@@H](COP(=O)(O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.62
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GSK3B P49841 4/20 0.47
ROCK1 Q13464 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
RPS6KA5 O75582 3/20 0.47
AKT1 P31749 3/20 0.47
NEK4 P51957 3/20 0.47
PRKCD Q05655 3/20 0.47
PRKG2 Q13237 3/20 0.47
PRKG1 Q13976 3/20 0.47
PKN2 Q16513 3/20 0.47
GSK3A P49840 3/20 0.47
MAPK13 O15264 2/20 0.47
ROCK2 O75116 2/20 0.47

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
SCHEMBL6569893 0.88 KDM4E (0.51) PIN1KDM4EGAATAS1R3TAS1R1
SCHEMBL6568413 0.85 PIN1 (0.48) PIN1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6569865 0.82 SMN1; SMN2 (0.46) PIN1KDM4ETAS1R3TAS1R1LMNA
SCHEMBL29367113 0.81 TAS1R3 (0.67) KDM4EGAATAS1R3TAS1R1MEN1
SCHEMBL6568573 0.81 RIPK1 (0.55) PIN1KDM4ETAS1R3TAS1R1MEN1
SCHEMBL28799168 0.81 KDM4E (0.50) PIN1KDM4EGAATAS1R3TAS1R1
SCHEMBL6570204 0.80 LPAR1 (0.46) PIN1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6568557 0.80 PIN1 (0.44) PIN1KDM4EGAATAS1R3TAS1R1
SCHEMBL6570334 0.80 LMNA (0.48) PIN1LMNASMN1; SMN2
SCHEMBL13444429 0.80 PIN1 (0.63) PIN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed