SCHEMBL9681277

SCHEMBL9681277

C=CCNC(C)(C)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
THRB P10828 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
SNCA P37840 1/20 0.39
BRCA1 P38398 1/20 0.39

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
SCHEMBL9680485 0.77 ALDH1A1 (0.53) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL24178666 0.76 SMN1; SMN2 (0.63) GAAALDH1A1HPGDHDAC1HDAC6
SCHEMBL8899809 0.76 MAPT (0.44) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL8897989 0.74 MAPT (0.46) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL855138 0.73 ALDH1A1 (0.61) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL9681707 0.72 HDAC1 (0.49) ALDH1A1MAPTHPGDHDAC1HDAC6
SCHEMBL8897630 0.72 HDAC3 (0.41) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL5949981 0.71 MAPT (0.59) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL194873 0.71 ALDH1A1 (0.59) GAAALDH1A1MAPTHPGDHDAC1
SCHEMBL9681004 0.71 RAB9A (0.53) GAAALDH1A1MAPTHPGDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed