SCHEMBL29809461

SCHEMBL29809461

Cc1nc2c(O)cc(C(=O)N(C)C)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ADRB2 P07550 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 8/20 0.41
PARP1 P09874 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDE9A O76083 1/20 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
SCHEMBL21203057 1.00 HTT (0.41) HTTADRB2HSP90AA1ESR2TDP1
SCHEMBL30480768 0.84 HSP90AA1 (0.40) HTTADRB2HSP90AA1ESR2TDP1
SCHEMBL29105517 0.83 TDP1 (0.55) HTTHSP90AA1ESR2TDP1DHODH
SCHEMBL30645299 0.83 TDP1 (0.55) HTTHSP90AA1ESR2TDP1DHODH
SCHEMBL24963453 0.81 HSP90AA1 (0.38) HTTADRB2HSP90AA1ESR2TDP1
SCHEMBL4633149 0.80 LMNA (0.43) HTTHSP90AA1ESR2TDP1DHODH
SCHEMBL31513744 0.80 HSP90AA1 (0.38) HTTADRB2HSP90AA1ESR2TDP1
SCHEMBL31513742 0.77 MAPT (0.41) HTTHSP90AA1ESR2TDP1DHODH
SCHEMBL21783726 0.76 POLB (0.39) HSP90AA1ESR2TDP1PARP1KDM4E
SCHEMBL4633001 0.74 HSP90AA1 (0.38) HTTHSP90AA1ESR2TDP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354889-B Process for preparing benzimidazole derivatives 怡诺安有限公司 2025-01-14 CN disclosed
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed
CN-116354889-A Process for preparing benzimidazole derivatives 怡诺安有限公司 2023-06-30 CN disclosed
CN-115594639-A Synthesis method of key intermediate of Tegolrazan 深圳市华先医药科技有限公司(CN) 2023-01-13 CN disclosed
CN-115108994-A Tegolrazan intermediate and preparation method and application thereof 江苏威奇达药业有限公司 2022-09-27 CN disclosed
CN-114805317-A Preparation method of Tegolrazan 江苏威奇达药业有限公司 2022-07-29 CN disclosed
CN-114805317-A Preparation method of Tegolrazan 江苏威奇达药业有限公司 2022-07-29 CN disclosed