SCHEMBL18649663

SCHEMBL18649663

CCOCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 3/20 0.35
▸ PTGES O14684 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL16998542 0.93 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998543 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998550 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998544 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998539 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998541 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16901883 0.90 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998545 0.89 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL25955362 0.88 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL18672267 0.88 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMEN1NPC1GALR3

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
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 — — US disclosed
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