SCHEMBL24820922

SCHEMBL24820922

Nc1ccc2c(c1)CCOCCOCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2B Q13224 1/20 0.39
CA9 Q16790 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HSD17B3 P37058 1/20 0.35

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
SCHEMBL2061060 0.98 MAPT (0.44) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL3982958 0.85 MAPT (0.40) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL29989368 0.85 MAPT (0.40) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL6291296 0.85 MAPT (0.40) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL17925963 0.81
SCHEMBL42805 0.77 CA12 (0.48) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL29779691 0.77 CA12 (0.48) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL264473 0.77 ADRA2A (0.47) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL19678691 0.75 LMNA (0.60) MAPTGAAKDM4ESMN1; SMN2LMNA
SCHEMBL21765305 0.75 HSD17B10 (0.48) MAPTGAAKDM4ESMN1; SMN2LMNA

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
WO-2022268026-A1 1,2,4-TRIAZOLE COMPOUNDS AS AXL INHIBITORS 南京正大天晴制药有限公司 2022-12-29 WO disclosed