SCHEMBL9560753

SCHEMBL9560753

C=CN(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
AKT1 P31749 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TGM2 P21980 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Pyrazine SCHEMBL10495805 0.91 KMT2A (0.40) NPSR1AKT1TRPM8KMT2AALDH1A1
Pyridazine SCHEMBL10495810 0.89 NPSR1 (0.34) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL3257322 0.83 NPSR1 (0.44) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL8060946 0.82 NPSR1 (0.40) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL2390372 0.81 NPSR1 (0.43) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL273919 0.79 KMT2A (0.46) NPSR1AKT1KMT2AALDH1A1POLB
SCHEMBL11703953 0.79 NPSR1 (0.41) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL11883850 0.79 AKT1 (0.43) NPSR1AKT1TRPM8KMT2AALDH1A1
SCHEMBL5820979 0.78 AKT1 (0.47) NPSR1AKT1KMT2AALDH1A1RAB9A
Phenol SCHEMBL29260292 0.76 TDP1 (0.42) NPSR1AKT1TRPM8KMT2AALDH1A1

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-5198452-A Leukotriene antagonist, lipoxygenase or cyclooxygenase inhibitors, antihistamines or antiallergens YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-30 US disclosed
EP-0466125-A2 Styryl compounds and their pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-15 EP disclosed