SCHEMBL7207699

SCHEMBL7207699

O=CCCn1nnc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.62
EGLN3 Q9H6Z9 2/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.58
GLA P06280 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.54
GRM2 Q14416 1/20 0.53
MGAM O43451 1/20 0.50
AMY1A P0DUB6 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL22658195 0.90 SLC9A1 (0.69) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL28726870 0.83 SLC9A1 (0.67) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL16004587 0.83 SLC9A1 (0.62) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL29693659 0.82 SLC9A1 (0.59) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL6039571 0.82 SLC9A1 (0.59) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL7672465 0.80 SLC9A1 (0.68) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL6846937 0.80 SLC9A1 (0.59) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL14796568 0.80 SLC9A1 (0.79) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL27842779 0.79 SLC9A1 (0.61) SLC9A1EGLN3RAB9ANPC1MAPT
SCHEMBL29883008 0.78 RPS6KA3 (0.55) SLC9A1EGLN3RAB9ANPC1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed