SCHEMBL28688587

SCHEMBL28688587

[CH2]Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.52
▸ EPHX2 P34913 2/20 0.52
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45

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
SCHEMBL2093505 0.78 RAPGEF4 (0.50) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL10895040 0.78 TSHR (0.50) EPHX1EPHX2CA2MAPTLMNA
SCHEMBL12614443 0.78 RAPGEF4 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL11611979 0.76 EPHX1 (0.54) EPHX1EPHX2CA2CA4CA5A
SCHEMBL19828138 0.74 EPHX1 (0.52) EPHX1EPHX2CA2CA4CA5A
SCHEMBL11052606 0.74 EPHX1 (0.58) EPHX1EPHX2CA2CA4CA5A
SCHEMBL29502263 0.74 MAPT (0.55) EPHX1EPHX2CA2CA4CA5A
SCHEMBL856883 0.74 EPHX1 (0.52) EPHX1EPHX2CA2CA4CA5A
SCHEMBL28391249 0.74 EPHX1 (0.52) EPHX1EPHX2CA2CA4CA5A
SCHEMBL30667273 0.74 EPHX1 (0.52) EPHX1EPHX2CA2CA4CA5A

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-115322163-B Dicarboxamido tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2024-04-09 — — CN claimed
CN-115322163-A Di-methylamino-s-tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2022-11-11 — — CN claimed
CN-115322163-B Dicarboxamido tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2024-04-09 — — CN disclosed
CN-115322163-B Dicarboxamido tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2024-04-09 — — CN disclosed
CN-115322163-A Di-methylamino-s-tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2022-11-11 — — CN disclosed
CN-115322163-A Di-methylamino-s-tetrazine compound as VEGFR-2 inhibitor and preparation and application thereof 浙江工业大学 2022-11-11 — — CN disclosed
CN-114174281-A Degradation agent for cyclin dependent kinase 7(CDK7) and use thereof 达纳-法伯癌症研究公司 2022-03-11 — — CN disclosed
CN-113993519-A Degradation agent for cyclin dependent kinase 12(CDK12) and use thereof 达纳-法伯癌症研究公司 2022-01-28 — — CN disclosed
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