SCHEMBL9526456

SCHEMBL9526456

O=C(OCCOc1cccc2ccccc12)N1CCN(C(=O)c2cncc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41

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
Iodide SCHEMBL9524910 0.81 LMNA (0.44) HPGDLMNASMN1; SMN2RAB9AMAPT
Iodide SCHEMBL9528531 0.80 LMNA (0.43) HPGDLMNASMN1; SMN2RAB9AMAPT
SCHEMBL9525460 0.74 KDM4E (0.47) HPGDLMNASMN1; SMN2RAB9AMAPT
SCHEMBL9525905 0.73 KDM4E (0.68) LMNAMAPTPOLBHTTALDH1A1
SCHEMBL9528248 0.72 LMNA (0.62) HPGDLMNASMN1; SMN2RAB9AMAPT
SCHEMBL1134905 0.68 KDM4E (0.65) HPGDLMNASMN1; SMN2NPC1HTT
SCHEMBL15229234 0.68 L3MBTL4 (0.53) HPGDLMNASMN1; SMN2RAB9AMAPT
SCHEMBL10391163 0.67 KDM4E (0.57) HPGDALDH1A1KDM4ETDP1
SCHEMBL10597687 0.67 KDM4E (0.63) HPGDALDH1A1KDM4ETDP1
SCHEMBL1964003 0.67 L3MBTL4 (0.69) HPGDLMNASMN1; SMN2RAB9AMAPT

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