SCHEMBL6851877

SCHEMBL6851877

[CH2]/C=C(/F)c1ccc2nccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.40
NPC1 O15118 10/20 0.39
RAB9A P51151 9/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
ESR2 Q92731 1/20 0.39
CYP3A4 P08684 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6851869 1.00 KMT2A (0.46) KMT2AMEN1HPGDPKMMAPT
SCHEMBL6852496 0.80 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL6852491 0.80 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL6850592 0.80 HTT (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6850587 0.80 HTT (0.51) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6852224 0.79 KMT2A (0.44) KMT2AMEN1HPGDPKMMAPT
SCHEMBL6879090 0.79 KMT2A (0.44) KMT2AMEN1HPGDPKMMAPT
SCHEMBL6852222 0.79 KMT2A (0.44) KMT2AMEN1HPGDPKMMAPT
SCHEMBL12327380 0.72 MAPT (0.50) KMT2AMEN1HPGDPKMMAPT
SCHEMBL27293915 0.70 MAPT (0.56) KMT2AMEN1HPGDPKMMAPT

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