SCHEMBL28258564

SCHEMBL28258564

Nc1c(-c2ccc3cc([N+](=O)[O-])ccc3c2)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 1/20 0.41
PTPRC P08575 2/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
S100A4 P26447 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 2/20 0.40
HPRT1 P00492 1/20 0.40
GPR3 P46089 1/20 0.39
MAPT P10636 1/20 0.39
GSTP1 P09211 1/20 0.39

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
SCHEMBL28260078 0.88 SMN1; SMN2 (0.50) TDP1SMN1; SMN2MEN1KMT2AKDR
SCHEMBL28255569 0.83 TDP1 (0.46) TSHRTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL6308539 0.82 GSTP1 (0.52) TSHRTDP1SMN1; SMN2ALOX5HPRT1
SCHEMBL29940725 0.82 GSTP1 (0.52) TSHRTDP1SMN1; SMN2ALOX5HPRT1
SCHEMBL28264260 0.82 HPRT1 (0.48) TDP1SMN1; SMN2MEN1KMT2AKDR
SCHEMBL28264264 0.78 HPRT1 (0.48) TSHRTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL19911034 0.76 HPRT1 (0.50) TSHRTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1527627 0.75 TSHR (0.62) TSHRTDP1MEN1KMT2AS100A4
SCHEMBL29450699 0.75 MEN1 (0.65) TSHRTDP1MEN1KMT2AS100A4
SCHEMBL8623371 0.75 MEN1 (0.65) TSHRTDP1MEN1KMT2AS100A4

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
CN-108821986-A A kind of Triamine monomer and its preparation method and application containing naphthalene structure 湖南工业大学 2018-11-16 CN disclosed