SCHEMBL30452206

SCHEMBL30452206

O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.56
▸ MYC P01106 1/20 0.56
▸ MAX P61244 1/20 0.56
▸ MAPT P10636 6/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 1/20 0.50
▸ LTB4R Q15722 1/20 0.50
▸ RAD51 Q06609 1/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL15227091 0.93 MCL1 (0.61) MCL1MYCMAXMAPTMEN1
SCHEMBL15829557 0.91 ACHE (0.60) MCL1MYCMAXMAPTMEN1
SCHEMBL15829570 0.91 PIK3CA (0.53) MCL1MYCMAXMAPTMEN1
SCHEMBL27843348 0.90 MCL1 (0.70) MCL1MYCMAXMAPTMEN1
SCHEMBL8621452 0.87 CHEK1 (0.58) MCL1MYCMAXMAPTMEN1
SCHEMBL4346876 0.87 APP (0.57) MCL1MAPTMEN1KMT2AALDH1A1
SCHEMBL31612936 0.84 MAPT (0.47) MCL1MYCMAXMAPTMEN1
SCHEMBL9321465 0.83 CA1 (0.59) MAPTALDH1A1LMNACA12CA1
SCHEMBL25390143 0.82 RAB9A (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL26229521 0.81 PTGS2 (0.56) MCL1MAPTMEN1KMT2AALDH1A1

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-114656607-B Imidazole ion porous organic polymer, preparation and CO catalysis 2 Application method for preparing cyclic carbonate by coupling epoxide 青岛科技大学 2023-05-26 — — CN disclosed
Send feedback