SCHEMBL6155665

SCHEMBL6155665

COCOc1cccc(/C(C)=N/O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 7/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 3/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 1/20 0.39
FURIN P09958 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 1/20 0.38
GFER P55789 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL6155669 1.00 NPC1 (0.51) NPC1RAB9AMAOBALDH1A1GAA
SCHEMBL20342880 0.83 KMT2A (0.51) NPC1RAB9AALDH1A1KMT2AALOX12
SCHEMBL2436935 0.81 NPC1 (0.76) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL2438276 0.81 NPC1 (0.76) NPC1RAB9AALDH1A1GAAKMT2A
SCHEMBL7639971 0.80 MAOB (0.43) NPC1RAB9AMAOBMAOAKMT2A
SCHEMBL30442255 0.80 MAOB (0.62) NPC1RAB9AMAOBALDH1A1MAOA
SCHEMBL3151885 0.80 MAOB (0.62) NPC1RAB9AMAOBALDH1A1MAOA
SCHEMBL8698292 0.80 MAOB (0.55) MAOBMAOAKMT2A
SCHEMBL20342713 0.79 KMT2A (0.53) NPC1RAB9AGAAKMT2A
SCHEMBL17133987 0.78 SMPD1 (0.58) NPC1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed