SCHEMBL11535922

SCHEMBL11535922

CC(O)CN(Cn1nnc2ccccc21)Cn1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.53
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
GRM2 Q14416 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNMA1 Q12791 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MGAM O43451 2/20 0.44
AMY1A P0DUB6 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
MAPT P10636 2/20 0.44
HCRTR1 O43613 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 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
SCHEMBL11536535 0.97 SLC9A1 (0.53) SLC9A1APAF1POLBGRM2ALDH1A1
SCHEMBL21420000 0.85 SLC9A1 (0.56) SLC9A1APAF1POLBGRM2KCNMA1
SCHEMBL31483490 0.82 SLC9A1 (0.63) SLC9A1GRM2KCNMA1EGLN3RAB9A
SCHEMBL513590 0.82 SLC9A1 (0.56) SLC9A1APAF1POLBGRM2ALDH1A1
SCHEMBL11536431 0.82 SLC9A1 (0.56) SLC9A1APAF1POLBGRM2ALDH1A1
SCHEMBL31483489 0.81 SLC9A1 (0.61) SLC9A1GRM2KCNMA1EGLN3RAB9A
SCHEMBL11537105 0.81 SLC9A1 (0.54) SLC9A1APAF1POLBGRM2ALDH1A1
SCHEMBL20713929 0.80 SLC9A1 (0.56) SLC9A1APAF1POLBGRM2KCNMA1
SCHEMBL284672 0.80 SLC9A1 (0.66) SLC9A1APAF1POLBGRM2KCNMA1
SCHEMBL11442537 0.80 APAF1 (0.68) SLC9A1APAF1POLBGRM2ALDH1A1

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-4177155-A N-AMINOMETHYL-TRIAZOLES AND IMIDAZOLES FOR MAKING ANTIFREEZES NONCORROSIVE CIBA-GEIGY CORPORATION (US) 1979-12-04 US disclosed