SCHEMBL14640693

SCHEMBL14640693

O=C(c1ccc(-c2nc(COC3CCNCC3)no2)cc1)N1CC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.45
SPHK2 Q9NRA0 3/20 0.43
HDAC4 P56524 1/20 0.40
USP7 Q93009 1/20 0.39
PTGS2 P35354 1/20 0.38
MGLL Q99685 2/20 0.37
GABRA5 P31644 1/20 0.37
ATR Q13535 1/20 0.37
S1PR1 P21453 2/20 0.36
NMT1 P30419 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TACR3 P29371 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14640893 0.89 SPHK1 (0.49) SPHK1SPHK2HDAC4USP7PTGS2
SCHEMBL4416333 0.83 GPR119 (0.54) SPHK1SPHK2HDAC4
SCHEMBL14640897 0.79 SPHK1 (0.46) SPHK1SPHK2HDAC4USP7
SCHEMBL4415980 0.78 GPR119 (0.53) SPHK1SPHK2HDAC4GABRA5
SCHEMBL27742206 0.78 SPHK1 (0.41) SPHK1SPHK2USP7S1PR1NMT1
SCHEMBL14640895 0.78 SPHK1 (0.48) SPHK1SPHK2HDAC4
SCHEMBL4412893 0.77 SPHK1 (0.47) SPHK1SPHK2HDAC4PTGS2MGLL
SCHEMBL14640892 0.77 USP7 (0.38) SPHK1SPHK2HDAC4USP7PTGS2
SCHEMBL4426184 0.77 GPR119 (0.51) SPHK1SPHK2HDAC4JAK2
SCHEMBL4422335 0.76 PTGS2 (0.51) SPHK1SPHK2HDAC4PTGS2MGLL

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