SCHEMBL7767347

SCHEMBL7767347

CN1NC(c2ccco2)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA2B P29275 6/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7875824 0.80 ADORA2B (0.44) KMT2AMAPTPOLBNPSR1TDP1
SCHEMBL6736095 0.72 LMNA (0.42) KMT2AMAPTALDH1A1GAAKDM4E
SCHEMBL6931336 0.67 ALDH1A1 (0.42) KMT2AMAPTPOLBNPSR1TDP1
SCHEMBL8542688 0.67 ALDH1A1 (0.44) KMT2AMAPTPOLBTDP1ADORA2B
SCHEMBL11727183 0.66 GAA (0.40) KMT2AMAPTPOLBNPSR1TDP1
SCHEMBL1253347 0.64 NPC1 (0.43) KMT2AMAPTPOLBNPSR1TDP1
SCHEMBL14115681 0.64 CHRM5 (0.38) KMT2AADORA2BNPC1ALDH1A1CHRM2
SCHEMBL6285030 0.63 ALDH1A1 (0.42) KMT2AMAPTPOLBNPSR1TDP1
SCHEMBL10794871 0.63 ADORA2B (0.55) KMT2APOLBTDP1ADORA2BGAA
SCHEMBL4056038 0.62 GAA (0.54) KMT2AMAPTPOLBNPSR1TDP1

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
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP disclosed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 WO disclosed