SCHEMBL9526836

SCHEMBL9526836

O=C(CCN(C(=O)c1cncc(Br)c1)c1ccccc1)NCCOC(=O)N1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
BCL2 P10415 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL9523933 0.88 MAPT (0.51) SMN1; SMN2HPGDHTTMAPTNPC1
SCHEMBL9526419 0.85 MAPT (0.53) SMN1; SMN2HTTMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL9526790 0.84 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTALDH1A1PRMT5
SCHEMBL9051635 0.81 THRB (0.35) SMN1; SMN2HPGDHTTALDH1A1GAA
SCHEMBL29384283 0.81 THRB (0.35) SMN1; SMN2HPGDHTTALDH1A1GAA
SCHEMBL9524791 0.79 NPC1 (0.49) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL9525927 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTMAPTNPC1
SCHEMBL9525001 0.78 NPC1 (0.42) SMN1; SMN2HPGDHTTMAPTNPC1
SCHEMBL9524781 0.78 NPC1 (0.38) SMN1; SMN2HPGDHTTMAPTNPC1
SCHEMBL9525116 0.77 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTNPC1RAB9A

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
EP-0382380-B1 PYRIDINIUM NITRATE, ITS PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-09-01 EP disclosed
US-4981860-A ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-01 US disclosed
EP-0382380-A1 Pyridinium Nitrate, its production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed