SCHEMBL8062142

SCHEMBL8062142

C[CH]Cn1nnc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.65
GRM2 Q14416 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
KCNMA1 Q12791 1/20 0.50
KEAP1 Q14145 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
MGAM O43451 1/20 0.49
AMY1A P0DUB6 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 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) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL28726870 0.82 SLC9A1 (0.67) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL29693659 0.81 SLC9A1 (0.59) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL31067332 0.81 SLC9A1 (0.59) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL253038 0.81 SLC9A1 (0.59) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL8060036 0.81 SLC9A1 (0.59) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL6039571 0.81 SLC9A1 (0.59) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL28745839 0.79 SLC9A1 (0.56) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL45852 0.79 SLC9A1 (1.00) SLC9A1GRM2TDP1RAB9ANPC1
SCHEMBL29735050 0.79 SLC9A1 (1.00) SLC9A1GRM2TDP1RAB9ANPC1

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