SCHEMBL9526168

SCHEMBL9526168

O=C(c1cncc(Br)c1)N(CCOCCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
ADRA2C P18825 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9525194 0.99 HTT (0.45) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9524110 0.88 NPC1 (0.46) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9525869 0.86 HTT (0.44) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9524303 0.85 HTT (0.50) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9525705 0.83 NPC1 (0.47) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9525204 0.83 KMT2A (0.45) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9524204 0.82 ADRA2C (0.52) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9524919 0.82 HTT (0.51) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9525476 0.81 POLB (0.46) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL9525897 0.80 GAA (0.43) HTTALOX15NPC1RAB9ASMN1; SMN2

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