SCHEMBL11535924

SCHEMBL11535924

CC(C)(O)N(Cn1nnc2ccccc21)Cn1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.56
ATM Q13315 1/20 0.52
KCNMA1 Q12791 1/20 0.51
GRM2 Q14416 1/20 0.49
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 3/20 0.47
MGAM O43451 2/20 0.47
AMY1A P0DUB6 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL11324947 0.88 SLC9A1 (0.56) SLC9A1ATMKCNMA1GRM2APAF1
SCHEMBL3675871 0.78 SLC9A1 (0.59) SLC9A1ATMKCNMA1GRM2APAF1
SCHEMBL283984 0.78 SLC9A1 (0.65) SLC9A1KCNMA1GRM2APAF1POLB
SCHEMBL8631037 0.78 SLC9A1 (0.59) SLC9A1ATMKCNMA1GRM2APAF1
SCHEMBL31483490 0.78 SLC9A1 (0.63) SLC9A1KCNMA1GRM2EGLN3MAPT
SCHEMBL31483489 0.76 SLC9A1 (0.61) SLC9A1KCNMA1GRM2EGLN3MAPT
SCHEMBL20432085 0.76 SLC9A1 (0.63) SLC9A1ATMKCNMA1GRM2APAF1
SCHEMBL11540348 0.76 SLC9A1 (0.53) SLC9A1ATMKCNMA1GRM2MAPT
SCHEMBL20713929 0.76 SLC9A1 (0.56) SLC9A1KCNMA1GRM2APAF1POLB
SCHEMBL284672 0.76 SLC9A1 (0.66) SLC9A1KCNMA1GRM2APAF1POLB

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