SCHEMBL31407773

SCHEMBL31407773

O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Oc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
KCNMA1 Q12791 1/20 0.60
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
PABPC1 P11940 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
EIF4H Q15056 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
RAB9A P51151 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL6260473 0.92 NPC1 (0.70) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL29748894 0.85 NPC1 (0.84) NPC1KCNMA1MEN1KMT2ACRHBP
SCHEMBL11361118 0.85 KCNMA1 (0.72) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL22007919 0.84 KMT2A (0.65) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL7301422 0.83 HTT (0.73) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL31499394 0.82 NPC1 (0.69) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL7372653 0.80 MAPT (0.67) NPC1KCNMA1MEN1KMT2ARAB9A
SCHEMBL7492554 0.79 CXCR1 (0.72) NPC1KCNMA1MEN1KMT2APABPC1
SCHEMBL5594982 0.79 CXCR2 (0.79) NPC1KCNMA1MEN1KMT2ACRHBP
SCHEMBL24380012 0.79 KCNMA1 (0.81) NPC1KCNMA1MEN1KMT2APABPC1

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-119200328-A Photosensitive resin composition, cured film and application thereof 武汉柔显科技股份有限公司 2024-12-27 CN disclosed