SCHEMBL6414082

SCHEMBL6414082

NNN1Cc2ccccc2O1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
OXTR P30559 1/20 0.31
HSD17B3 P37058 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL8648635 0.74 HSD17B3 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6645559 0.72 MAOA (0.39) MAOAMAOBNPC1LMNARAB9A
SCHEMBL5530904 0.70 MAOA (0.41) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7757699 0.68 MAOA (0.39) MAOAMAOBLMNASMN1; SMN2DPP4
SCHEMBL17185668 0.68 MAOA (0.39) MAOAMAOBLMNASMN1; SMN2DPP4
SCHEMBL8195798 0.67 LIPE (0.41) DPP8MEN1KMT2A
SCHEMBL14833074 0.65 HSD17B3 (0.38) MAOAMAOBDPP4DPP8DPP7
SCHEMBL6199231 0.65 NISCH (0.38) MAOAMAOBDPP4DPP8DPP7
SCHEMBL27426301 0.64 MAOA (0.35) MAOAMAOBNPC1LMNARAB9A
SCHEMBL9067264 0.61 MAOA (0.38) MAOAMAOBNPC1LMNARAB9A

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
EP-1286987-B1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS AUSTRIA WIRTSCHAFTSSERV GMBH (AT) 2005-09-28 EP disclosed
EP-1286987-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-03-05 EP disclosed
WO-2001094340-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2001-12-13 WO disclosed