SCHEMBL4199035

SCHEMBL4199035

COc1ccc(CN(N)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ACHE P22303 1/20 0.54
LDHA P00338 1/20 0.53
APLNR P35414 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TAS2R14 Q9NYV8 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
TSPO P30536 1/20 0.49
AOC3 Q16853 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL19583689 0.86 HTT (0.51) HTTALDH1A1SMN1; SMN2ACHELDHA
Oxalic Acid SCHEMBL8497670 0.84 ALDH1A1 (0.53) HTTALDH1A1SMN1; SMN2ACHELDHA
SCHEMBL23544264 0.82 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2ACHELDHA
SCHEMBL4106617 0.82 TAS2R14 (0.54) ALDH1A1ACHETAS2R14MEN1KMT2A
SCHEMBL3484433 0.81 TDP1 (0.60) HTTALDH1A1SMN1; SMN2ACHELDHA
SCHEMBL22832109 0.80 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2ACHELDHA
SCHEMBL29006698 0.80 ACHE (0.61) HTTALDH1A1ACHETDP1TAS2R14
SCHEMBL28269468 0.80 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2ACHEAPLNR
SCHEMBL6597445 0.80 RAB9A (0.61) ALDH1A1ACHEMEN1KMT2ATSHR
SCHEMBL3722809 0.79 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2ACHELDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011946-A1 Use of Sequence Specific Polymers in Chemical Detection KALINEX (US) 2009-01-08 US disclosed
EP-1839059-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION Kalinex (US) 2007-10-03 EP disclosed
WO-2006069263-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION KALINEX (US) 2006-06-29 WO disclosed
US-20050003558-A1 Biological sample component purification and differential display CHIRON CORPORATION (US) 2005-01-06 US disclosed
US-6783929-B1 COMPRISES POLYAMIDE LIGANDS FOR ENHANCED EFFICIENCY OF PROTEOMICS CHIRON CORPORATION 2004-08-31 US disclosed
EP-1155327-A1 BIOLOGICAL SAMPLE COMPONENT PURIFICATION AND DIFFERENTIAL DISPLAY CHIRON CORPORATION (US) 2001-11-21 EP disclosed
WO-2001033230-A2 BIOLOGICAL SAMPLE COMPONENT PURIFICATION AND DIFFERENTIAL DISPLAY CHIRON CORPORATION (US) 2001-05-10 WO disclosed
EP-0218689-B1 ANTHELMINTIC QUINOLINYL ACYLHYDRAZONES AND COMPOSITIONS THE UPJOHN COMPANY (US) 1990-08-01 EP disclosed
US-4870082-A PARASITICIDES, NEMATOCIDES THE UPJOHN COMPANY (US) 1989-09-26 US disclosed
EP-0263209-A2 Anthelmintic quinolinyl acylhydrazones THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
WO-1986005982-A3 ANTHELMINTIC QUINOLINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-04-23 WO disclosed
EP-0218689-A1 ANTHELMINTIC QUINOLINYL ACYLHYDRAZONES AND COMPOSITIONS. UPJOHN CO (US) 1987-04-22 EP disclosed
WO-1986005982-A2 ANTHELMINTIC QUINOLINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1986-10-23 WO disclosed