SCHEMBL31336261

SCHEMBL31336261

CCOC(=O)C1=C(F)C=CNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 3/20 0.34

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
SCHEMBL28359795 0.82 KDM4E (0.46) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL19658017 0.72 MAPT (0.41) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL16133601 0.69 KDM4E (0.36) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL20730186 0.69 MEN1 (0.39) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL29636185 0.67 HRH3 (0.43) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL4654947 0.67 KDM4E (0.40) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL9045453 0.67 KDM4E (0.40) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL9548196 0.66 KDM4E (0.72) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL5608026 0.66 KDM4E (0.59) MEN1KMT2AMAPTKDM4EALOX15
SCHEMBL20300508 0.66 SLC6A2 (0.48) MEN1KMT2AMAPTKDM4EALOX15

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
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed