SCHEMBL588131

SCHEMBL588131

CC(=O)NNc1ccccc1.CC(=O)NNc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
GAA P10253 7/20 0.61
NAPRT Q6XQN6 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PTGS2 P35354 3/20 0.59
CRHR1 P34998 1/20 0.56
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
F2 P00734 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CTSD P07339 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL425872 1.00 ALOX5 (1.00) ALOX5CYP3A4TSHRALDH1A1KDM4E
Hydrazine SCHEMBL10419652 0.96 ALOX5 (0.91) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL11429113 0.94 ALOX5 (0.88) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL5720411 0.92 ALOX5 (0.84) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL11418031 0.88 ALOX5 (0.78) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL10906841 0.88 TSHR (0.78) ALOX5CYP3A4TSHRALDH1A1KDM4E
Acrylic Acid SCHEMBL28239979 0.88 ALOX5 (0.78) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL11686576 0.85 GAA (0.74) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL10942888 0.81 CYP3A4 (0.68) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL3143658 0.80 TSHR (0.67) ALOX5CYP3A4TSHRALDH1A1KDM4E

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
EP-2417208-A2 ANAEROBIC ADHESIVE AND SEALANT COMPOSITIONS IN FILM FORM, FILM SPOOL ASSEMBLIES CONTAINING SUCH COMPOSITIONS IN FILM FORM AND PREAPPLIED VERSIONS THEREOF ON MATABLE PARTS Henkel Corporation (US) 2012-02-15 EP disclosed
WO-2010118123-A2 ANAEROBIC ADHESIVE AND SEALANT COMPOSITIONS IN FILM FORM, FILM SPOOL ASSEMBLIES CONTAINING SUCH COMPOSITIONS IN FILM FORM AND PREAPPLIED VERSIONS THEREOF ON MATABLE PARTS HENKEL CORPORATION (US) 2010-10-14 WO disclosed