SCHEMBL29755652

SCHEMBL29755652

OC(O)CCn1nnc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.62
EGLN3 Q9H6Z9 2/20 0.59
MAPT P10636 3/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
GLA P06280 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.54
GRM2 Q14416 1/20 0.53
KCNMA1 Q12791 1/20 0.51
ALDH1A1 P00352 2/20 0.51
APAF1 O14727 1/20 0.51
POLB P06746 1/20 0.51
MGAM O43451 1/20 0.50
AMY1A P0DUB6 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
HCRTR1 O43613 1/20 0.49
LMNA P02545 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
SCHEMBL437788 1.00 SLC9A1 (0.62) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL18373283 0.83 SLC9A1 (0.67) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL972935 0.82 APAF1 (0.62) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL2936169 0.80 SLC9A1 (0.68) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL14796568 0.80 SLC9A1 (0.79) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL28881718 0.79 MGAM (0.53) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL13780815 0.79 SLC9A1 (0.66) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL7667067 0.77 SLC9A1 (0.70) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL29482278 0.77 SLC9A1 (0.70) SLC9A1EGLN3MAPTRAB9ANPC1
SCHEMBL10248342 0.77 SLC9A1 (0.69) SLC9A1EGLN3MAPTRAB9ANPC1

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-2022172438-A1 ABRASIVE AGENT AND ABRADING METHOD 昭和電工マテリアルズ株式会社 2022-08-18 WO disclosed