SCHEMBL2904986

SCHEMBL2904986

ON=Cc1ccc(OC(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 2/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
DRD1 P21728 1/20 0.52
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALOX15 P16050 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2949700 0.82 SMN1; SMN2 (0.40) MAPTALDH1A1PPARGPPARADRD1
SCHEMBL10593391 0.78 DRD1 (0.46) MAPTALDH1A1PPARGPPARADRD1
SCHEMBL10593386 0.78 DRD1 (0.46) MAPTALDH1A1PPARGPPARADRD1
SCHEMBL16355428 0.76 POLB (0.52) MAPTALDH1A1DRD1POLBKDM4E
SCHEMBL7789028 0.76 NPC1 (0.61) MAPTALDH1A1DRD1POLBKDM4E
SCHEMBL10663191 0.76 ALDH1A1 (0.49) MAPTALDH1A1PPARGPPARAKDM4E
SCHEMBL10663187 0.76 ALDH1A1 (0.49) MAPTALDH1A1PPARGPPARAKDM4E
SCHEMBL7793047 0.76 GRIN2D (0.53) MAPTALDH1A1DRD1POLBKDM4E
SCHEMBL5438788 0.76 RAB9A (0.53) MAPTALDH1A1PPARGPPARAKMT2A
SCHEMBL5438794 0.76 RAB9A (0.53) MAPTALDH1A1PPARGPPARAKMT2A

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
CN-106336383-B A kind of trinitrogenazole alcohol analog derivative and its preparation method and application 中国人民解放军第二军医大学 2019-05-14 CN disclosed
CN-106336383-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2017-01-18 CN disclosed
EP-1879884-B1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LAB LTD (IN) 2010-08-25 EP disclosed
EP-1879884-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117653-A1 AZOLE-BASED PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed