SCHEMBL31751055

SCHEMBL31751055

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ L3MBTL1 Q9Y468 6/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LCK P06239 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 2/20 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
SCHEMBL31750399 0.84 KDM4E (0.44) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31751049 0.83 KDM4E (0.43) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31750118 0.74 KDM4E (0.40) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31750482 0.73 RXRA (0.42) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31750045 0.71 KDM4E (0.42) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL1028535 0.70 KDM4E (0.43) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31750324 0.69 KDM4E (0.42) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL31750243 0.68 KDM4E (0.42) KDM4EL3MBTL1MAPTTDP1MEN1
SCHEMBL1429298 0.68 AKR1B1 (0.55) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL31750476 0.68 HTR2A (0.43) HTR2AHTR2CKMOMAPK1

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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