SCHEMBL29993893

SCHEMBL29993893

[2H]c1ccc2nn(C)c(Cl)c2c1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ GRM4 Q14833 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30474592 0.83 PRMT5 (0.41) SLC9A1KEAP1SMN1; SMN2RECQLPRMT5
SCHEMBL28161565 0.73 PDPK1 (0.44) SLC9A1KEAP1SMN1; SMN2RECQLPRMT5
SCHEMBL29993730 0.71 MAPK13 (0.35) SMN1; SMN2
SCHEMBL19489400 0.70 PTPN11 (0.33) —
SCHEMBL13067164 0.67 ESR2 (0.49) SLC9A1KEAP1SMN1; SMN2RECQL
SCHEMBL13106159 0.67 PARP1 (0.41) SLC9A1KEAP1PRMT5
SCHEMBL22199110 0.67 RECQL (0.36) SMN1; SMN2RECQL
SCHEMBL21631683 0.66 PTPN11 (0.33) —
SCHEMBL21653695 0.66 PTPN11 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL28701856 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022237178-A1 BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-11-17 — — WO disclosed
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