SCHEMBL9853000

SCHEMBL9853000

O=C(O)CCOC(=O)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
PRMT5 O14744 6/20 0.56
WDR77 Q9BQA1 6/20 0.56
NOTUM Q6P988 1/20 0.53
ABHD6 Q9BV23 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9852991 0.92 SMN1; SMN2 (0.62) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL324836 0.84 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL30023801 0.84 NOTUM (0.58) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL9527451 0.84 PRMT5 (0.57) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL22032274 0.82 PRMT5 (0.61) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL16268868 0.82 ALDH1A1 (0.64) SMN1; SMN2HPGDTSHRPRMT5WDR77
SCHEMBL15355387 0.82 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL30647004 0.82 PRMT5 (0.55) SMN1; SMN2HPGDTSHRHSD17B10PRMT5
SCHEMBL324228 0.81 TMEM97 (0.67) PRMT5WDR77MEN1KMT2ANPC1
SCHEMBL3721168 0.80 PRMT5 (0.56) SMN1; SMN2HPGDTSHRHSD17B10PRMT5

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-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 EP disclosed