SCHEMBL4796899

SCHEMBL4796899

CNS(=O)(=O)N1N=C(c2ccc(OC)c(OC)c2)CC1c1cccc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.60
POLB P06746 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 7/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CA2 P00918 4/20 0.49
CA1 P00915 2/20 0.49
ACHE P22303 1/20 0.49
YAP1 P46937 1/20 0.48
TEAD4 Q15561 1/20 0.48
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL3315214 0.89 KDM4E (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3308582 0.85 KMT2A (0.83) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3314479 0.83 MEN1 (0.81) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3312796 0.79 PKM (0.67) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL23052562 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23052499 0.77 MEN1 (0.74) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23052455 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23052564 0.77 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23052359 0.77 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23052324 0.76 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB

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
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 WO disclosed