SCHEMBL11092001

SCHEMBL11092001

O=C(Nc1cc(C(F)(F)F)nc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.65
EPHX2 P34913 2/20 0.65
P2RY1 P47900 1/20 0.60
SLC2A1 P11166 1/20 0.59
KDR P35968 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 4/20 0.58
LMNA P02545 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
HTT P42858 1/20 0.58
PDE3A Q14432 1/20 0.58
NLRP3 Q96P20 1/20 0.58
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55

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
SCHEMBL11233780 0.85 MAPT (0.62) MEN1KMT2ALMNAHTTRAB9A
SCHEMBL30640703 0.80 EPHX1 (1.00) EPHX1EPHX2P2RY1SLC2A1MEN1
SCHEMBL2683478 0.80 EPHX1 (1.00) EPHX1EPHX2P2RY1SLC2A1MEN1
SCHEMBL4548158 0.80 KDR (0.90) EPHX1EPHX2P2RY1SLC2A1KDR
SCHEMBL9084605 0.77 KDR (0.72) EPHX1EPHX2P2RY1SLC2A1KDR
SCHEMBL12443228 0.77 MAPT (0.74) EPHX1EPHX2P2RY1SLC2A1KDR
SCHEMBL22125366 0.76 SMARCA2 (0.82) KDRSMARCA2SMARCA4IGF1RGAA
Cloflucarban SCHEMBL28866649 0.75 KDR (0.80) EPHX1EPHX2P2RY1SLC2A1KDR
SCHEMBL22103803 0.75 KDR (0.70) EPHX1EPHX2P2RY1SLC2A1KDR
SCHEMBL11005058 0.75 KDR (0.85) EPHX1EPHX2KDRCA2CA9

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
US-4472583-A AND CORRESPONDING ISOCYANATE; UREA, THIOUREA, GUANIDINE INTERMEDIATES; FUNGICIDES, BACTERICIDES THE DOW CHEMICAL COMPANY (US) 1984-09-18 US disclosed
US-4331669-A Fungicidal pyridyl arylureas, compositions containing them and method of controlling fungi and bacteria DOW CHEMICAL COMPANY LIMITED, ENGLAND (GB) 1982-05-25 US disclosed