SCHEMBL6850644

SCHEMBL6850644

C=C[CH]c1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.61
PDGFRA P16234 3/20 0.61
RAB9A P51151 3/20 0.53
CYP1A2 P05177 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MGAM O43451 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 7/20 0.42
CYP2A6 P11509 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BIRC5 O15392 1/20 0.40
GLA P06280 1/20 0.40
ACHE P22303 1/20 0.40
PRKAG1 P54619 1/20 0.40

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
SCHEMBL486937 0.85 PDGFRB (0.65) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL31441068 0.85 PDGFRB (0.65) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL27960103 0.79 PDGFRB (0.67) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL372292 0.78 PDGFRB (0.71) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL372291 0.78 PDGFRB (0.71) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL4814653 0.78 PDGFRB (0.71) PDGFRBPDGFRARAB9ACYP1A2KDM4E
Formamide SCHEMBL9731556 0.77 PDGFRB (0.56) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL3084488 0.77 PDGFRB (0.65) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL7254720 0.77 PDGFRB (0.65) PDGFRBPDGFRARAB9ACYP1A2KDM4E
SCHEMBL232458 0.77 PDGFRB (0.65) PDGFRBPDGFRARAB9ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-6660718-B1 Grampositive bacteria MEIJI SEIKA KAISHA, LTD. (JP) 2003-12-09 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
EP-1191031-A1 3-MODIFIED LEUCOMYCIN DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-03-27 EP disclosed