SCHEMBL27465286

SCHEMBL27465286

C[C](O)c1ccc2nccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
KLK7 P49862 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL30134133 0.81 NPC1 (0.54) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL1644064 0.81 NPC1 (0.54) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL12327380 0.78 MAPT (0.50) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL30390410 0.78 MAPT (0.59) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL193423 0.78 MAPT (0.59) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL28612277 0.77 MAPT (0.57) MAPTALDH1A1HPGDKMT2AMEN1
Lithium Ion SCHEMBL31133341 0.77 MAPT (0.57) MAPTALDH1A1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL548656 0.77 MAPT (0.57) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL27293915 0.76 MAPT (0.56) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL6531550 0.74 MAPT (0.54) MAPTALDH1A1HPGDKMT2AMEN1

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
CN-1155558-C N-alkoxyalkyl-N, N-dialkylamine derivatives or salts thereof, and therapeutic agents for neurodegenerative diseases containing the same ��ɽ��ѧ��ҵ��ʽ���� 2004-06-30 CN disclosed
CN-1358169-A N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO LTD (JP) 2002-07-10 CN disclosed