SCHEMBL9876312

SCHEMBL9876312

CCc1nccnc1/C(C)=N\NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PTGS2 P35354 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9876314 1.00 MAPK1 (0.36) MAPK1ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL9876260 0.80 GAA (0.38) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL9876264 0.80 GAA (0.38) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL28454239 0.80 METTL3 (0.44) HTT
SCHEMBL28498657 0.79 METTL3 (0.43) HTT
SCHEMBL28457486 0.79 METTL3 (0.43) HTT
SCHEMBL1532459 0.74 ALDH1A1 (0.36) MAPK1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL13806634 0.74 KDM4E (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL30296925 0.74 ALDH1A1 (0.36) MAPK1ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL30575331 0.74 KDM4E (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049561-A Anthelmintic acylhydrazones, method of use and compositions THE UPJOHN COMPANY (US) 1991-09-17 US claimed
EP-0370065-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1990-05-30 EP claimed
WO-1989000992-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1989-02-09 WO claimed