SCHEMBL1503322

SCHEMBL1503322

COC(=O)c1ncc(CNC(CCOCc2ccccc2)Cc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GPR34 Q9UPC5 2/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM3 P20309 2/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
GRM5 P41594 1/20 0.32
LTA4H P09960 1/20 0.32
PPARG P37231 1/20 0.32
AR P10275 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1503131 0.78 BCHE (0.39) CA12PPARGKMT2A
SCHEMBL1503319 0.76 KMT2A (0.38) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL1503138 0.73 KMT2A (0.48) MAPTCA12L3MBTL1KMT2AALDH1A1
SCHEMBL12444364 0.72 ALOX5 (0.40) MAPTLMNAL3MBTL1NPC1RAB9A
SCHEMBL1503187 0.71 ALDH1A1 (0.41) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL1503317 0.70 KMT2A (0.35) MAPTLMNAKMT2A
SCHEMBL15746657 0.70 KDM4E (0.41) L3MBTL1ARKMT2A
SCHEMBL1503211 0.69 KDM4E (0.37) L3MBTL1PLA2G1BATG4BGRM5AR
SCHEMBL15746784 0.68 BCHE (0.37) PPARGARKMT2A
SCHEMBL1503203 0.68 L3MBTL1 (0.40) MAPTLMNAL3MBTL1ARRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO disclosed