SCHEMBL9866334

SCHEMBL9866334

CC(C[N+](C)(C)C)Oc1ccc(N2N=C3c4ccccc4CCC3CC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 8/20 0.33
PTGS1 P23219 5/20 0.33
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
Iodide SCHEMBL10445218 0.99 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL9865906 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTGAAPTGS2
SCHEMBL9602580 0.87 MCHR1 (0.39) ALDH1A1KDM4ENPC1RAB9AMAPT
Iodide SCHEMBL9602456 0.87 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTGAADRD2
SCHEMBL9866881 0.83 MAPT (0.39) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL9603188 0.78 MAPT (0.37) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL9866888 0.77 MAPT (0.41) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8580696 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL9601558 0.75 MAOB (0.46) ALDH1A1NPC1RAB9AHPGDDRD2
SCHEMBL9603147 0.75 MCHR1 (0.35) ALDH1A1MAPTKMT2ASIGMAR1ACHE

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed