SCHEMBL6852240

SCHEMBL6852240

[CH2]/C=C/c1nc2ccccc2n1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.68
ALDH1A1 P00352 8/20 0.68
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
MAPT P10636 6/20 0.68
KMT2A Q03164 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
PKM P14618 2/20 0.68
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 2/20 0.57
CDK5 Q00535 1/20 0.57
PAX8 Q06710 1/20 0.57
CDK5R1 Q15078 1/20 0.57
RCE1 Q9Y256 1/20 0.57
HPGD P15428 4/20 0.54
HSD17B10 Q99714 1/20 0.54
PDE10A Q9Y233 1/20 0.52
MEN1 O00255 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
GLA P06280 2/20 0.51

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
SCHEMBL17254599 0.84 KDM4E (0.70) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL11699121 0.81 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL8551153 0.81 NPC1 (1.00) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL14381963 0.79 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6854120 0.79 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6854119 0.79 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL17033984 0.79 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6850608 0.78 KDM4E (0.62) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6850618 0.78 KDM4E (0.62) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL102893 0.78 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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