SCHEMBL9526417

SCHEMBL9526417

COC(=O)C(C)CN(C(=O)c1cncc(Br)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
HTT P42858 3/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.41
EGFR P00533 1/20 0.40
MEN1 O00255 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
SCHEMBL9525468 0.89 HTT (0.48) MAPK1HTTALOX15SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL9528340 0.85 HTT (0.45) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL9525530 0.80 HTT (0.46) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL9524919 0.77 HTT (0.51) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL10401397 0.77 NPC1 (0.42) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL9526375 0.76 ALDH1A1 (0.41) MAPK1SMN1; SMN2TSHRPOLBNPSR1
SCHEMBL9524204 0.75 ADRA2C (0.52) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL9524303 0.74 HTT (0.50) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL9524002 0.74 NPC1 (0.44) MAPK1HTTALOX15SMN1; SMN2TSHR
SCHEMBL10401423 0.74 NPC1 (0.40) MAPK1HTTALOX15SMN1; SMN2TSHR

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