SCHEMBL30536697

SCHEMBL30536697

[2H]C([2H])([2H])NC(=O)c1cc2c(F)cc(F)c(F)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.38
TDO2 P48775 5/20 0.38
HRH4 Q9H3N8 2/20 0.35
EIF4A3 P38919 2/20 0.35
SETD2 Q9BYW2 6/20 0.33
PLA2G7 Q13093 3/20 0.33
PTPN11 Q06124 1/20 0.33
NSD2 O96028 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL30544767 0.89 PTPN11 (0.41) IDO1TDO2HRH4EIF4A3SETD2
SCHEMBL30798890 0.79 PTPN11 (0.36) IDO1TDO2HRH4EIF4A3PLA2G7
SCHEMBL30798926 0.79 IDO1 (0.38) IDO1TDO2HRH4EIF4A3
SCHEMBL26312516 0.78 IDO1 (0.41) IDO1TDO2HRH4EIF4A3SETD2
SCHEMBL25427384 0.77 CYP1A2 (0.44) IDO1TDO2HRH4EIF4A3
SCHEMBL29655554 0.77 CNR1 (0.46) IDO1TDO2EIF4A3ALOX15
SCHEMBL29946325 0.76 IDO1 (0.57) IDO1TDO2EIF4A3ALOX15
SCHEMBL22395227 0.76 IDO1 (0.57) IDO1TDO2EIF4A3ALOX15
SCHEMBL30067353 0.74 IDO1 (0.41) IDO1TDO2HRH4EIF4A3
SCHEMBL30544758 0.74 IDO1 (0.41) IDO1TDO2HRH4EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118986968-A Pharmaceutical composition of 3CL inhibitor compound and application thereof 深圳信立泰药业股份有限公司 2024-11-22 CN disclosed
CN-118165069-A Nitrogen-containing spiro indoline compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-11 CN disclosed
CN-118146228-A Deuterated spiro compound crystal form and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-06-07 CN disclosed
WO-2024017270-A1 SPIRO COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳信立泰药业股份有限公司 2024-01-25 WO disclosed
CN-116621917-A Difluoro indole-spiro compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-08-22 CN disclosed