SCHEMBL8060036

SCHEMBL8060036

N[CH]Cn1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.59
GRM2 Q14416 2/20 0.56
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GLA P06280 1/20 0.51
KCNMA1 Q12791 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MGAM O43451 1/20 0.49
AMY1A P0DUB6 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
SCHEMBL8203345 0.85 SLC9A1 (0.63) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL29693659 0.81 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL253038 0.81 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL8062142 0.81 SLC9A1 (0.65) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL6039571 0.81 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL31067332 0.81 SLC9A1 (0.59) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL28745839 0.79 SLC9A1 (0.56) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL251561 0.79 SLC9A1 (0.66) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL31234269 0.78 SLC9A1 (0.70) SLC9A1GRM2MAPTRAB9ANPC1
SCHEMBL1774497 0.78 SLC9A1 (0.70) SLC9A1GRM2MAPTRAB9ANPC1

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-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed