SCHEMBL29800259

SCHEMBL29800259

O=Cc1c(F)cc(F)c(Cl)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL22469513 1.00 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1809938 0.84 ERN1 (0.36) MEN1ALDH1A1KMT2ATDP1CYP3A4
SCHEMBL19688093 0.83 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28843508 0.81 ERN1 (0.34) MEN1ALDH1A1KMT2ATDP1CYP3A4
SCHEMBL10497746 0.78 CA1 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL9342595 0.78 KIF11 (0.38) CYP2C9
SCHEMBL1591828 0.77 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATDP1CA1
SCHEMBL27702448 0.76 ALDH1A1 (0.45) MEN1ALDH1A1KMT2ATDP1
SCHEMBL7929904 0.75 KIF11 (0.32) MEN1ALDH1A1KMT2ATDP1
SCHEMBL4453298 0.74 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462659-A Bridged tricyclic carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2025-02-18 CN disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
CN-113874079-B Bridged tricyclic carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2024-11-08 CN disclosed
CN-116745292-A Substituted pyridotriazine compounds and uses thereof 吉利德科学公司 2023-09-12 CN disclosed
EP-4196479-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-21 EP disclosed
WO-2022159387-A1 SUBSTITUTED PYRIDOTRIAZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2022-07-28 WO disclosed