SCHEMBL8100340

SCHEMBL8100340

COc1nn(C)c(=O)n1-c1ccsc1COc1nc(-c2ccc(C(F)(F)F)cc2)ns1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34
TDP2 O95551 1/20 0.33
DYRK3 O43781 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
RAB9A P51151 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
PPARG P37231 2/20 0.31
CTSS P25774 1/20 0.31
PDE2A O00408 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL8104232 0.69 ALDH1A1 (0.40) RAB9AKDM4ENPC1
SCHEMBL8596843 0.66 TP53 (0.42) RAB9ANPC1
SCHEMBL8550685 0.63 PSEN1 (0.36) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL12151052 0.63 PPARD (0.51) PPARDPPARARAB9AF2RL3PPARG
SCHEMBL8548621 0.61 NTRK1 (0.42) PPARAF2RL3
SCHEMBL8590947 0.61 DHPS (0.37)
SCHEMBL8809898 0.60 F2RL3 (0.42) F2RL3KDM4ECASP3
SCHEMBL12151189 0.59 PPARD (0.48) PPARDPPARARAB9APPARGKDM4E
SCHEMBL23862105 0.58 PPARD (0.51) PPARDPPARARAB9APPARG
SCHEMBL8810747 0.58 MEN1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US disclosed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed