SCHEMBL6852449

SCHEMBL6852449

O=C(O)Nc1nc(CO)co1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.35
IDH2 P48735 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
KLK1 P06870 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27819858 0.80 NPC1 (0.42) LMNAGAAKMT2A
SCHEMBL11540720 0.73 CCNE2 (0.48) LMNAHDAC1ACSS2KMT2A
SCHEMBL11544477 0.69 TP53 (0.41) GAAKMT2A
SCHEMBL27819859 0.68 ATM (0.33) HDAC1
SCHEMBL11542530 0.68 ACSS2 (0.37) LMNAACSS2KMT2A
SCHEMBL1127860 0.67
SCHEMBL27798699 0.66 NPC1 (0.41) KMT2A
SCHEMBL22118870 0.66 DAGLA (0.40) TSHR
SCHEMBL25144893 0.65 FPR3 (0.34)
SCHEMBL4034904 0.64 DRD2 (0.54) LMNAHDAC1GAATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467976-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2004-10-20 EP disclosed
WO-2003059893-A1 N-PYRAZINYL-PHENYLSULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-07-24 WO disclosed