SCHEMBL11183619

SCHEMBL11183619

CC(OC(C)n1ncc(-c2ccccc2)n1)n1ncc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14270969 0.84 KMT2A (0.42) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL28101592 0.82 L3MBTL1 (0.36) KMT2ARAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30435192 0.81 KMT2A (0.40) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL30434788 0.81 KMT2A (0.40) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL30434613 0.71 NPC1 (0.35) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14294672 0.71 CHRM2 (0.45) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7918782 0.70 KMT2A (0.52) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL13509095 0.68 TDP1 (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL28883975 0.67 KMT2A (0.41) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL31469522 0.66 KMT2A (0.32) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-4400388-A Fungicidal 1-phenyl-2-(1,2,4-triazol-1-yl)-ethyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 — — US disclosed
US-4327104-A FUNGICIDES AND BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-04-27 — — US disclosed
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