SCHEMBL8358922

SCHEMBL8358922

O=C(NCC1CC(c2ccncc2)=NO1)c1cc2ccccc2n1C1=CC=C(Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
LMNA P02545 2/20 0.35
RCE1 Q9Y256 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2 P00734 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
SCHEMBL13900112 0.85 F10 (0.46) F10LMNAALDH1A1HPGDHTT
SCHEMBL8354980 0.80 RAB9A (0.48) F10LMNAALDH1A1HPGDL3MBTL1
SCHEMBL13900119 0.79 CCR2 (0.48) F10LMNAALDH1A1HPGDHTT
SCHEMBL8357797 0.77 F10 (0.54) F10LMNAALDH1A1HPGDHTT
SCHEMBL1675306 0.73 F10 (0.68) F10F2
SCHEMBL8358870 0.72 F10 (0.51) F10LMNAL3MBTL1CYP2C19CYP3A4
SCHEMBL1095599 0.66 F10 (0.47) F10HPGDNPC1RAB9A
SCHEMBL7505956 0.65 RAB9A (0.51) F10HTTNPC1RAB9ASMN1; SMN2
SCHEMBL7505962 0.65 RAB9A (0.51) F10HTTNPC1RAB9ASMN1; SMN2
SCHEMBL8355123 0.65 CCR2 (0.46) F10LMNAALDH1A1HPGDHTT

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-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed