SCHEMBL13005381

SCHEMBL13005381

COc1ccc(Oc2cnc(C)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7993944 0.81
SCHEMBL4796162 0.81 TEAD4 (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5131452 0.81 KMT2A (0.50) LTA4HALDH1A1MEN1KMT2ACA1
SCHEMBL755812 0.81 MEN1 (0.46) LTA4HALDH1A1MEN1KMT2AACHE
SCHEMBL11411731 0.81 LTA4H (0.50) LTA4HALDH1A1MEN1KMT2ACA1
SCHEMBL5650797 0.81 LTA4H (0.59) LTA4HALDH1A1MEN1KMT2ACA1
SCHEMBL4796155 0.81 TEAD4 (0.34) LTA4HALDH1A1MEN1KMT2ANPC1
SCHEMBL754535 0.80 LTA4H (0.55) LTA4HALDH1A1HTTHAO1L3MBTL1
SCHEMBL20176875 0.78 LTA4H (0.39) LTA4HHTTSMN1; SMN2TDP1LMNA
SCHEMBL14037485 0.78 DYRK1A (0.53) ALDH1A1MEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756104-B1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR LIGANDS PFIZER LTD (GB) 2010-12-15 EP disclosed