SCHEMBL17619476

SCHEMBL17619476

C[C@@H]1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HTR2C P28335 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.47
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ CTSK P43235 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL17619475 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL10130029 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL17610275 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL1189348 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL15218647 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL16472423 0.91 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL15883697 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL30232243 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL2621382 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL2621378 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHTR2CMEN1

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-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
Send feedback