SCHEMBL11324947

SCHEMBL11324947

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.56
ATM Q13315 1/20 0.49
GRM2 Q14416 1/20 0.49
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
KCNMA1 Q12791 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
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
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RPS6KA3 P51812 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL11535924 0.88 SLC9A1 (0.56) SLC9A1ATMGRM2APAF1POLB
SCHEMBL8631037 0.78 SLC9A1 (0.59) SLC9A1ATMGRM2APAF1POLB
SCHEMBL283984 0.78 SLC9A1 (0.65) SLC9A1GRM2APAF1POLBKCNMA1
SCHEMBL3675871 0.78 SLC9A1 (0.59) SLC9A1ATMGRM2APAF1POLB
SCHEMBL31483490 0.78 SLC9A1 (0.63) SLC9A1GRM2KCNMA1EGLN3RAB9A
SCHEMBL31483489 0.76 SLC9A1 (0.61) SLC9A1GRM2KCNMA1EGLN3RAB9A
SCHEMBL20432085 0.76 SLC9A1 (0.63) SLC9A1ATMGRM2APAF1POLB
SCHEMBL284672 0.76 SLC9A1 (0.66) SLC9A1GRM2APAF1POLBKCNMA1
SCHEMBL20713929 0.76 SLC9A1 (0.56) SLC9A1GRM2APAF1POLBKCNMA1
SCHEMBL513590 0.75 SLC9A1 (0.56) SLC9A1GRM2APAF1POLBKCNMA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268610-A Photoresist formulations HERCULES INCORPORATED (US) 1981-05-19 US disclosed
US-4177155-A N-AMINOMETHYL-TRIAZOLES AND IMIDAZOLES FOR MAKING ANTIFREEZES NONCORROSIVE CIBA-GEIGY CORPORATION (US) 1979-12-04 US disclosed