SCHEMBL738697

SCHEMBL738697

COCCCNc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
ALDH1A1 P00352 7/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.45
ALPG P10696 1/20 0.45
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27668932 0.85 MAPT (0.57) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL11507064 0.82 MAPT (0.57) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL3631214 0.81 MAPT (0.60) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL7973779 0.81 CHRM2 (0.58) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL738515 0.81 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL1420874 0.80 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL10805147 0.79 MAPT (0.58) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL29566643 0.79 MAPT (0.60) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL308233 0.79 MAPT (0.60) MAPTALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL7745470 0.77 ALDH1A1 (0.66) MAPTALDH1A1L3MBTL1MAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063438-A MDM2/MDMX double-target inhibitor compound, prodrug, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2024-05-24 CN disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed