SCHEMBL10656168

SCHEMBL10656168

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc[n+]([O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.61
PDK1 Q15118 1/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
RAB9A P51151 1/20 0.57
GRM4 Q14833 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
XBP1 P17861 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL6055167 0.83 LMNA (0.70) KDRPDK1MAPTLMNAGAA
SCHEMBL11793308 0.83 KDR (0.68) KDRPDK1MAPTLMNAGAA
SCHEMBL10658648 0.83 NPC1 (0.67) MAPTLMNARAB9AGRM4MEN1
SCHEMBL3973967 0.82 KDR (0.66) KDRPDK1MAPTLMNAGAA
SCHEMBL3218645 0.82 CXCR2 (0.62) KDRPDK1MAPTLMNAGAA
SCHEMBL3977997 0.81 KDR (0.64) KDRPDK1MAPTLMNAGAA
SCHEMBL3407832 0.79 KDR (0.65) KDRMEN1KMT2ACA1CA2
SCHEMBL28389908 0.79 KDR (0.61) KDRPDK1MAPTLMNAGAA
SCHEMBL10184841 0.78 KDR (0.59) KDRPDK1MAPTLMNAGAA
SCHEMBL4249329 0.78 RAB9A (0.71) KDRPDK1MAPTLMNAGAA

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-4728658-A ANTIULCER JOHN WYETH & BROTHER LIMITED (GB) 1988-03-01 US claimed
US-4728658-A ANTIULCER JOHN WYETH & BROTHER LIMITED (GB) 1988-03-01 US disclosed