SCHEMBL14640893

SCHEMBL14640893

O=C(c1ccc(-c2nc(COC3CCNCC3)no2)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.49
SPHK2 Q9NRA0 3/20 0.47
ATR Q13535 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
MGLL Q99685 2/20 0.41
USP7 Q93009 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
GRM5 P41594 1/20 0.38
CLPP Q16740 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
SCHEMBL14640693 0.89 SPHK1 (0.45) SPHK1SPHK2ATRSMN1; SMN2HDAC4
SCHEMBL4412893 0.88 SPHK1 (0.47) SPHK1SPHK2SMN1; SMN2HDAC4HDAC6
SCHEMBL13598291 0.83 GPR119 (0.55) SPHK1SPHK2SMN1; SMN2HDAC4
SCHEMBL4422335 0.80 PTGS2 (0.51) SPHK1SPHK2SMN1; SMN2HDAC4PTGS2
SCHEMBL14640897 0.80 SPHK1 (0.46) SPHK1SPHK2HDAC4HDAC6USP7
SCHEMBL27742206 0.78 SPHK1 (0.41) SPHK1SPHK2NPC1RAB9AUSP7
SCHEMBL14640895 0.78 SPHK1 (0.48) SPHK1SPHK2HDAC4HDAC6MCHR1
SCHEMBL14640892 0.78 USP7 (0.38) SPHK1SPHK2HDAC4HDAC6PTGS2
SCHEMBL13598277 0.76 GPR119 (0.54) SPHK1SPHK2HDAC4PTGS2
SCHEMBL4416048 0.76 GPR119 (0.54) SPHK1SPHK2HDAC4HDAC6

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
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed