SCHEMBL8725850

SCHEMBL8725850

Fc1ccc(Nc2[c]ccc3c2OCCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
FLT1 P17948 1/20 0.38
MAOB P27338 1/20 0.37
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 1/20 0.33
STAT1 P42224 1/20 0.33
EGFR P00533 1/20 0.32
P4HB P07237 1/20 0.32
EPHB4 P54760 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL910176 0.73 ITGB2 (0.37) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL6216565 0.67 ITGB2 (0.39) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3345615 0.64 ITGB2 (0.36) MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL62556 0.64 ITGB2 (0.36) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL8725276 0.61 BRAF (0.45) MAOBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL15786696 0.61 ABCB1 (0.60) ABCB1FLT1MAOBMAPTSMN1; SMN2
SCHEMBL395770 0.60 ALDH1A1 (0.50) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8616603 0.60 ITGB2 (0.32)
SCHEMBL6346532 0.60 CTNNB1 (0.35) ALDH1A1KDM4ELMNATDP1L3MBTL1
SCHEMBL62903 0.60 MTNR1A (0.33)

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
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed