SCHEMBL2823296

SCHEMBL2823296

Nc1cc(-c2cccc(Br)c2)n[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
IKBKB O14920 1/20 0.47
MAPT P10636 6/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPC1 O15118 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALOX15 P16050 3/20 0.45
HTT P42858 3/20 0.45
HSP90AA1 P07900 2/20 0.45
LMNA P02545 2/20 0.45
SNCA P37840 1/20 0.45

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
SCHEMBL1861037 0.83 IDO1 (0.53) IDO1METAP2IKBKBMAPTHPGD
SCHEMBL7312649 0.83 MAPT (0.51) MAPTRAB9AALDH1A1PDE2APDE3B
SCHEMBL1392639 0.82 ADORA3 (0.56) MAPTRAB9AALDH1A1PDE2APDE3B
SCHEMBL11245286 0.76 CYP1A2 (0.63) METAP2ALDH1A1PDE2APDE3BPDE3A
SCHEMBL2829502 0.76 CYP1A2 (0.62) IDO1METAP2IKBKBMAPTHPGD
Bromide SCHEMBL11742008 0.74 CYP1A2 (0.61) IDO1METAP2IKBKBMAPTHPGD
SCHEMBL16500506 0.74 SNCA (0.60) IDO1METAP2IKBKBMAPTHPGD
SCHEMBL2851298 0.74 SCN9A (0.54) IDO1METAP2MAPTHPGDRAB9A
SCHEMBL16115554 0.73 NPC1 (0.66) IDO1METAP2IKBKBMAPTHPGD
SCHEMBL11242864 0.73 PDE3B (0.61) IDO1MAPTHPGDALDH1A1PDE2A

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
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed