SCHEMBL31750045

SCHEMBL31750045

CCOC(=O)Cc1c(C)ccc2cnn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ L3MBTL1 Q9Y468 6/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 6/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL31750399 0.87 KDM4E (0.44) KDM4EL3MBTL1TDP1MAPTMEN1
SCHEMBL31750096 0.78 SMN1; SMN2 (0.43) KDM4EL3MBTL1TDP1MAPTMEN1
SCHEMBL23841768 0.78 USP7 (0.34) KDM4ESMN1; SMN2MAPK1HPGDHTT
SCHEMBL31750249 0.74 NOTUM (0.34) TP53
SCHEMBL21123278 0.74 KMT2A (0.34) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31750938 0.73 L3MBTL1 (0.40) KDM4EL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL31751049 0.73 KDM4E (0.43) KDM4EL3MBTL1TDP1MAPTMEN1
SCHEMBL18070735 0.72 KMT2A (0.33) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31751055 0.71 KDM4E (0.42) KDM4EL3MBTL1TDP1MAPTMEN1
SCHEMBL24440124 0.71 GAA (0.43) KDM4EL3MBTL1TDP1MAPTKMT2A

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-2025262250-A1 GUANFACINE DERIVATIVES AND THEIR USES NEGIO THERAPEUTICS (BE) 2025-12-26 — — WO disclosed
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