SCHEMBL9524919

SCHEMBL9524919

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.46
HCAR2 Q8TDS4 1/20 0.46
EGFR P00533 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CASP3 P42574 3/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL9525530 0.89 HTT (0.46) HTTALOX15SMN1; SMN2POLBHCAR2
Hydrochloric Acid SCHEMBL9524126 0.89 HTT (0.48) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9527984 0.89 SMN1; SMN2 (0.46) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9524204 0.87 ADRA2C (0.52) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9525116 0.86 SMN1; SMN2 (0.46) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9524303 0.86 HTT (0.50) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9525795 0.84 SMN1; SMN2 (0.46) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9525362 0.82 BLM (0.43) HTTALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL9526168 0.82 HTT (0.46) HTTALOX15SMN1; SMN2POLBHCAR2
SCHEMBL9525194 0.81 HTT (0.45) HTTALOX15SMN1; SMN2POLBHCAR2

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