SCHEMBL6852218

SCHEMBL6852218

[CH2]/C=C/c1cnc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
PAX8 Q06710 1/20 0.48
KDM4E B2RXH2 2/20 0.44
HTT P42858 3/20 0.44
PDE10A Q9Y233 1/20 0.44
PIM1 P11309 1/20 0.41
GPR3 P46089 1/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6852382 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12923109 0.80 PAX8 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7940364 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL896448 0.79 PDE10A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL525672 0.79 PDE10A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL711460 0.78 KDM4E (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL711461 0.78 KDM4E (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6852180 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6852174 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6852376 0.76 PDE10A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed