SCHEMBL9526419

SCHEMBL9526419

O=C(CCN(C(=O)c1cncc(Br)c1)c1ccccc1)NCCOC(=O)N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
TP53 P04637 1/20 0.36

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 0.95 MAPT (0.51) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9526836 0.85 SMN1; SMN2 (0.50) MAPTHTTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9525176 0.84 LMNA (0.37) MAPTHTTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9523909 0.79 MEN1 (0.38) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9524791 0.79 NPC1 (0.49) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9525927 0.78 SMN1; SMN2 (0.50) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9524781 0.77 NPC1 (0.38) MAPTHTTLMNAPOLBNPC1
SCHEMBL9525116 0.77 SMN1; SMN2 (0.46) MAPTHTTMEN1KMT2APOLB
SCHEMBL9525001 0.76 NPC1 (0.42) MAPTHTTLMNAMEN1KMT2A
SCHEMBL9524974 0.76 ALDH1A1 (0.41) LMNAMEN1KMT2APOLBHSD17B10

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