SCHEMBL9525837

SCHEMBL9525837

CCCCCCCCCCC(C)NC(=O)OC(C)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HRH4 Q9H3N8 4/20 0.43
ROCK2 O75116 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL9525184 0.98 MAPT (0.51) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525298 0.91 MAPT (0.51) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525531 0.87 MAPT (0.52) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525186 0.85 MEN1 (0.53) MAPTMAPK1ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9524577 0.84 KDM4E (0.38) MAPTKDM4EMEN1KMT2AHRH3
SCHEMBL9528120 0.84 MEN1 (0.52) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525482 0.84 MEN1 (0.55) MAPTMAPK1ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9525660 0.83 KDM4E (0.39) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525714 0.82 MEN1 (0.57) MAPTMAPK1ALDH1A1KDM4EMEN1
SCHEMBL9525770 0.82 POLB (0.53) MAPTMAPK1ALDH1A1KDM4EMEN1

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 2 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