SCHEMBL6854162

SCHEMBL6854162

COc1ccc(-c2ccc(C=C(F)CO)cc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
PPARG P37231 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 7/20 0.37
FFAR1 O14842 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6854161 1.00 LMNA (0.39) LMNANPC1RAB9ATP53POLB
SCHEMBL6854157 1.00 LMNA (0.39) LMNANPC1RAB9ATP53POLB
SCHEMBL6852515 0.77 LMNA (0.40) LMNANPC1RAB9ATP53POLB
SCHEMBL6852522 0.77 LMNA (0.40) LMNANPC1RAB9ATP53POLB
SCHEMBL6852733 0.74 KMT2A (0.38) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6852736 0.74 KMT2A (0.38) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6875888 0.74 KMT2A (0.38) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6877341 0.74 HDAC4 (0.37)
SCHEMBL6877331 0.74 HDAC4 (0.37)
SCHEMBL6877337 0.74 HDAC4 (0.37)

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