SCHEMBL8323227

SCHEMBL8323227

COc1ccc(O)cc1N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
ALDH1A3 P47895 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
MAOB P27338 2/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43

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
SCHEMBL2940842 0.98 ALDH1A1 (0.49) ALDH1A1MAPTALDH1A3HTR3EHTR3B
SCHEMBL6240310 0.83 HTR3E (0.68) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL8321228 0.83 AKR1C3 (0.49) ALDH1A1MAPTHTR3EHTR3BHTR3A
Bromide SCHEMBL6773601 0.82 HTR3E (0.66) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL5701472 0.79 ALDH1A1 (0.57) ALDH1A1MAPTALDH1A3HTR3EHTR3B
SCHEMBL9830402 0.79 MAPT (0.63) ALDH1A1MAPTALDH1A3HTR3EHTR3B
SCHEMBL2277814 0.77 TDP1 (0.54) ALDH1A1MAPTALDH1A3HTR3EHTR3B
SCHEMBL14320628 0.77 MAPT (0.59) ALDH1A1MAPTALDH1A3HTR3EHTR3B
SCHEMBL2938046 0.76 SMPD3 (0.47) ALDH1A1MAPTHTR3EHTR3BHTR3A
SCHEMBL17659019 0.76 KMT2A (0.42) ALDH1A1MAPTUSP2MAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed