SCHEMBL28264264

SCHEMBL28264264

Nc1ccc2c(ccc3ccccc32)c1-c1ccc2cc([N+](=O)[O-])ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.48
S100A4 P26447 1/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.40
GPR35 Q9HC97 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
HNF4A P41235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL28866677 0.82 SMN1; SMN2 (0.48) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL5575186 0.81 HPRT1 (0.64) HPRT1S100A4MEN1KMT2ATDP1
SCHEMBL19911034 0.80 HPRT1 (0.50) HPRT1S100A4MEN1KMT2ATDP1
SCHEMBL1527627 0.80 TSHR (0.62) HPRT1S100A4MEN1KMT2ATDP1
SCHEMBL28258564 0.78 TSHR (0.44) HPRT1S100A4MEN1KMT2ATDP1
SCHEMBL28255568 0.78 TAAR1 (0.46) MEN1KMT2ATDP1CRHBPCRHR2
SCHEMBL24432375 0.76 IKBKB (0.46) HPRT1TDP1TSHRMAPTSMN1; SMN2
SCHEMBL13492589 0.76 CYP1A2 (0.48) S100A4MEN1KMT2ATDP1TSHR
SCHEMBL29450699 0.76 MEN1 (0.65) HPRT1S100A4MEN1KMT2ATDP1
SCHEMBL8623371 0.76 MEN1 (0.65) HPRT1S100A4MEN1KMT2ATDP1

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-108976133-A A kind of Triamine monomer of the structure containing phenanthrene ring and its preparation method and application 湖南工业大学 2018-12-11 CN disclosed