SCHEMBL11540348

SCHEMBL11540348

CCOC(CC)(OCC)N(Cn1nnc2ccccc21)Cn1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
GRM2 Q14416 1/20 0.43
KCNMA1 Q12791 1/20 0.43
PTK2 Q05397 1/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 0.76 SLC9A1 (0.56) SLC9A1NPC1RAB9AGRM2KCNMA1
SCHEMBL284672 0.73 SLC9A1 (0.66) SLC9A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL283984 0.73 SLC9A1 (0.65) SLC9A1MEN1KMT2ANPC1RAB9A
SCHEMBL31483490 0.72 SLC9A1 (0.63) SLC9A1NPC1RAB9AGRM2KCNMA1
SCHEMBL31483489 0.71 SLC9A1 (0.61) SLC9A1NPC1RAB9AGRM2KCNMA1
SCHEMBL8511223 0.71 SLC9A1 (0.63) SLC9A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL45852 0.70 SLC9A1 (1.00) SLC9A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL29735050 0.70 SLC9A1 (1.00) SLC9A1MEN1LMNAKMT2AL3MBTL1
SCHEMBL11324947 0.70 SLC9A1 (0.56) SLC9A1NPC1RAB9AGRM2KCNMA1
SCHEMBL3675871 0.70 SLC9A1 (0.59) SLC9A1NPC1RAB9AGRM2KCNMA1

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