SCHEMBL9525770

SCHEMBL9525770

CC(NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1)OC(=O)NCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CASP3 P42574 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
CTSL P07711 1/20 0.41
ROCK2 O75116 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
ROCK1 Q13464 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL9525298 0.87 MAPT (0.51) POLBMAPTKMT2AMAPK1KDM4E
Hydrochloric Acid SCHEMBL9525965 0.84 KDM4E (0.39) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9525184 0.84 MAPT (0.51) MAPTKMT2AMAPK1KDM4EMEN1
SCHEMBL9528120 0.83 MEN1 (0.52) MAPTKMT2AMAPK1KDM4EMEN1
SCHEMBL9525837 0.82 MAPT (0.48) MAPTKMT2AMAPK1KDM4EMEN1
SCHEMBL9525714 0.81 MEN1 (0.57) POLBMAPTKMT2AMAPK1KDM4E
SCHEMBL9524234 0.80 MEN1 (0.58) MAPTKMT2AMAPK1KDM4EMEN1
SCHEMBL9525482 0.79 MEN1 (0.55) POLBMAPTKMT2AMAPK1KDM4E
SCHEMBL9525531 0.78 MAPT (0.52) MAPTKMT2AMAPK1KDM4EMEN1
SCHEMBL9525186 0.78 MEN1 (0.53) POLBMAPTKMT2AMAPK1KDM4E

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