SCHEMBL25028313

SCHEMBL25028313

O=[N+]([O-])c1ccc(-c2nc3cc4sc(-c5ccc([N+](=O)[O-])o5)nc4cc3s2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 2/20 0.49
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ SLC2A1 P11166 1/20 0.44
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 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
SCHEMBL12713530 0.85 RAB9A (0.58) ILKMMP2MMP9MMP8MMP13
SCHEMBL25028187 0.81 MMP2 (0.46) ILKMMP2MMP9MMP8MMP13
SCHEMBL25028059 0.80 MMP2 (0.53) ILKMMP2MMP9MMP8MMP13
SCHEMBL23954304 0.72 MAPT (0.42) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1997012 0.71 MGAM (0.53) MMP2MMP9MMP8MMP13RAB9A
SCHEMBL2506896 0.71 MMP2 (0.40) ILKMMP2MMP9MMP8MMP13
SCHEMBL25028115 0.70 CYP2C19 (0.46) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL7811413 0.69 IDO1 (0.50) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL16151139 0.69 MMP2 (0.40) MMP2MMP9MMP8MMP13SLC2A1
SCHEMBL11884894 0.68 CYP2A6 (0.42) ILKMMP2MMP9MMP8MMP13

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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