SCHEMBL7343592

SCHEMBL7343592

CC(C)c1cccc(NC(=N)Nc2cccc(C(C)C)c2)c1.N=C(Nc1cccc2ccccc12)Nc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
FADS1 O60427 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6720692 1.00 GAA (0.54) GAAPOLBMAPTKDM4ERAB9A
SCHEMBL7377502 0.91 KMT2A (0.62) GAAPOLBMAPTKDM4ERAB9A
SCHEMBL6724308 0.90 LMNA (0.57) GAAPOLBMAPTKDM4ERAB9A
SCHEMBL6719917 0.85 GRIN2D (0.55) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL6724060 0.84 CA2 (0.50) KMT2AMEN1FADS1SIGMAR1GRIN2D
SCHEMBL6720777 0.83 FADS1 (0.45) GAAKMT2AMEN1LMNAFADS1
SCHEMBL6719148 0.81 TRPV1 (0.58) GAAPOLBMAPTKDM4ERAB9A
SCHEMBL6727801 0.81 MAPT (0.52) POLBMAPTKMT2AMEN1LMNA
SCHEMBL6727618 0.81 GRIN2D (0.40) GAAPOLBKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL8717419 0.80 GRIN2D (0.39) GAAPOLBKMT2AMEN1LMNA

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-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed