SCHEMBL6852376

SCHEMBL6852376

C=C[CH]c1cnc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 7/20 0.41
PIM1 P11309 1/20 0.41
PAX8 Q06710 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPT P10636 4/20 0.39
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL896448 0.83 PDE10A (0.47) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL525672 0.79 PDE10A (0.50) PDE10ARAB9ANPC1SMN1; SMN2PIM1
Anthracene SCHEMBL27918023 0.77 NQO2 (0.43) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL6852382 0.76 RAB9A (0.50) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL6852218 0.76 RAB9A (0.50) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL3559408 0.75 PDE10A (0.47) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL27321431 0.75 PDE10A (0.47) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL97699 0.75 ALDH1A1 (0.47) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL5845185 0.75 PDE10A (0.47) PDE10ARAB9ANPC1SMN1; SMN2PIM1
SCHEMBL1472894 0.73 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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-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