SCHEMBL9770924

SCHEMBL9770924

COC(=O)Cc1cc(NC(=S)N2CCCC=N2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 4/20 0.33
WDR5 P61964 1/20 0.32
MAPT P10636 6/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GPR174 Q9BXC1 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 3/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 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
SCHEMBL9770917 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AWDR5MAPTLMNA
SCHEMBL9770873 0.74 KMT2A (0.33) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL12768192 0.71 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12359628 0.68 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31727099 0.68 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9770895 0.68 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL9770928 0.68 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL9770973 0.66 PPOX (0.36) ALDH1A1KMT2AMAPTGAAPOLB
SCHEMBL7976613 0.64 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7976503 0.63 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed