SCHEMBL28401236

SCHEMBL28401236

CC(C)(C)c1nccc(OC(=O)N2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
TRPV1 Q8NER1 2/20 0.35
TRPA1 O75762 2/20 0.35
SCN9A Q15858 2/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL23850969 0.81 RXFP1 (0.39) HPGDMAPTSMN1; SMN2TRPV1TRPA1
SCHEMBL28700611 0.78 HPGD (0.38) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29016419 0.78 SCN9A (0.43) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL24714799 0.77 HPGD (0.49) HPGDSCN9ASCN7AKCNH2CFTR
SCHEMBL28352934 0.77 HPGD (0.40) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28441612 0.76 RAB9A (0.43) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30422104 0.75 CFTR (0.39) TPSAB1TPSD1TPSG1CFTR
SCHEMBL28386256 0.74 TRPV1 (0.42) HPGDMAPTSMN1; SMN2TRPV1TRPA1
SCHEMBL28496076 0.74 SMN1; SMN2 (0.43) HPGDMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29159093 0.74 SMN1; SMN2 (0.35) HPGDMAPTRAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 CN disclosed
CN-115836072-A Inhibitors of KRAS G12C protein and uses thereof 上海德琪医药科技有限公司 2023-03-21 CN disclosed
CN-111164083-B Novel ALK2 inhibitors and methods for inhibiting BMP signaling 布里格姆妇女医院股份有限公司 2023-01-10 CN disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
CN-113637005-A KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2021-11-12 CN disclosed
CN-112915092-A Combinations of AKT inhibitor compounds and abiraterone and methods of use 基因泰克公司 2021-06-08 CN disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 CN disclosed
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN disclosed
CN-111643504-A Combinations of AKT inhibitor compounds and chemotherapeutic agents and methods of use 基因泰克公司 2020-09-11 CN disclosed
CN-111164083-A Novel ALK2 inhibitors and methods for inhibiting BMP signaling 布里格姆妇女医院股份有限公司 2020-05-15 CN disclosed