SCHEMBL9525531

SCHEMBL9525531

CC(CCCO)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 6/20 0.48
HTT P42858 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 3/20 0.46
ROCK2 O75116 1/20 0.46
ALOX12 P18054 1/20 0.46
ROCK1 Q13464 1/20 0.46
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HRH4 Q9H3N8 2/20 0.42

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
SCHEMBL9525186 0.94 MEN1 (0.53) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525482 0.91 MEN1 (0.55) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525184 0.90 MAPT (0.51) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525837 0.87 MAPT (0.48) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525714 0.87 MEN1 (0.57) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525216 0.84 MAPT (0.43) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525576 0.82 TSHR (0.45) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9525298 0.81 MAPT (0.51) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9528120 0.80 MEN1 (0.52) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL9524407 0.79 MAPK1 (0.45) MAPTMEN1KMT2AMAPK1ALDH1A1

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-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed