SCHEMBL6851945

SCHEMBL6851945

[CH2]/C(F)=C/c1ccc(-c2ncccn2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6851947 1.00 HDAC1 (0.42) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6847989 0.83 KDM4E (0.56) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6847986 0.83 KDM4E (0.56) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6853766 0.82 HDAC1 (0.40) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6853774 0.82 HDAC1 (0.40) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6853779 0.82 HDAC1 (0.40) HDAC1KDM4ENPC1GLAMAPT
SCHEMBL6852336 0.76 PRF1 (0.43) HDAC1KDM4EMAPTCYP2E1CYP3A4
SCHEMBL6852345 0.76 PRF1 (0.43) HDAC1KDM4EMAPTCYP2E1CYP3A4
SCHEMBL6850666 0.76 CYP2A6 (0.62) HDAC1KDM4ECYP2E1CYP3A4CYP2A6
SCHEMBL6850669 0.76 CYP2A6 (0.62) HDAC1KDM4ECYP2E1CYP3A4CYP2A6

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