SCHEMBL6852736

SCHEMBL6852736

COc1ccnc(-c2ccc(C=C(F)CO)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CLK4 Q9HAZ1 4/20 0.35
TRPV3 Q8NET8 3/20 0.33
CLK1 P49759 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP4B1 P13584 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP3A5 P20815 1/20 0.33
CYP2A7 P20853 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
SCHEMBL6875888 1.00 KMT2A (0.38) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6852733 1.00 KMT2A (0.38) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6876968 0.82 MEN1 (0.37) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6876973 0.82 MEN1 (0.37) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6876971 0.82 MEN1 (0.37) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6879073 0.78 ADRB2 (0.42) KMT2AMEN1NPC1CLK4CYP2A6
SCHEMBL6276439 0.78 ADRB2 (0.42) KMT2AMEN1NPC1CLK4CYP2A6
SCHEMBL6309957 0.78 ADRB2 (0.42) KMT2AMEN1NPC1CLK4CYP2A6
SCHEMBL6870896 0.76 ALDH1A1 (0.43) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL6854162 0.74 LMNA (0.39) KMT2AMEN1NPC1MAPTSMN1; SMN2

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