SCHEMBL7857587

SCHEMBL7857587

Brc1ccc(-c2cnccn2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
TERT O14746 3/20 0.39
ALOX12 P18054 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 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
SCHEMBL13416007 0.78 HTT (0.45) RAB9AMAPTNPC1KDM4EHSD17B10
SCHEMBL3425584 0.77 MAPT (0.47) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL753210 0.73 KDM4E (0.72) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL11298413 0.73 MAPT (0.44) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL7864083 0.72 HTT (0.44) KDM4EHSD17B10ALDH1A1TERTHTT
SCHEMBL6827675 0.72 HSP90AA1 (0.40) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL12402387 0.72 CYP2A6 (0.61) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12680207 0.72 ALOX5 (0.38) RAB9AMAPTNPC1KDM4ESMN1; SMN2
SCHEMBL6850748 0.72 CYP2A6 (0.60) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10160902 0.72 CYP2D6 (0.44) RAB9AMAPTNPC1KDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP disclosed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO disclosed
US-6054435-A 6-O-substituted macrolides having antibacterial activity ABBOTT LABORATORIES (US) 2000-04-25 US disclosed