SCHEMBL22760110

SCHEMBL22760110

O=C(O)c1c(OC2CCCC2)c2c(Cl)c(Cl)ccc2n1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.36
FOLH1 Q04609 1/20 0.34
EDNRA P25101 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH1 P35367 4/20 0.33
CCR3 P51677 4/20 0.33
KCNH2 Q12809 3/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
FAAH O00519 1/20 0.32
CCR2 P41597 2/20 0.32
PPARG P37231 1/20 0.32
FABP4 P15090 1/20 0.32
KMO O15229 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28558066 0.99 VCP (0.37) VCPFOLH1EDNRAPDE4DHRH1
SCHEMBL22748258 0.86 NTRK1 (0.38) FOLH1EDNRAPDE4DCCR2
SCHEMBL22748259 0.86 NTRK1 (0.38) FOLH1EDNRAPDE4DCCR2
SCHEMBL22760495 0.74 FOLH1 (0.37) FOLH1EDNRACCR2KMT2A
SCHEMBL22747822 0.73 GAA (0.38) FOLH1EDNRAKMT2A
SCHEMBL22760079 0.71 MAT2A (0.41) FOLH1EDNRATHRBCCR2
SCHEMBL22760364 0.69 FOLH1 (0.37) FOLH1EDNRACCR2KMT2A
SCHEMBL22747835 0.69 KMO (0.40) EDNRAKMO
SCHEMBL22747899 0.68 HTR1A (0.40) FOLH1EDNRA
SCHEMBL22760097 0.68 CHRM4 (0.45) FOLH1HRH1CCR3KCNH2KMT2A

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-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed