SCHEMBL14629672

SCHEMBL14629672

COC(=O)c1cc2ccccc2c2c1C=CC(c1ccc(N3CCOCC3)cc1)(c1cccs1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
HCRTR1 O43613 1/20 0.41
MAPT P10636 8/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
RAC1 P63000 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIK3CB P42338 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5550214 0.87 KMT2A (0.47) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL7777302 0.82 DHODH (0.37) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL5551024 0.81 KMT2A (0.42) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL1845404 0.79 KMT2A (0.43) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL8509702 0.79 MEN1 (0.43) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL5650444 0.79 MAPT (0.38) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL5551001 0.78 PLA2G2A (0.38) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL26290022 0.77 KDM4E (0.45) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL7479868 0.75 MEN1 (0.40) KMT2AMEN1HCRTR1MAPTALDH1A1
SCHEMBL5549293 0.74 MAPT (0.39) KMT2AMEN1HCRTR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed