SCHEMBL28779396

SCHEMBL28779396

N=C(N)Nc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
GRM4 Q14833 1/20 0.41

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
Hydrochloric Acid SCHEMBL28779394 0.98 TDP1 (0.42) TDP1KDM4EPOLBMAPTNPC1
SCHEMBL19526332 0.86 KMT2A (0.59) KDM4EPOLBMAPTRAB9AKMT2A
SCHEMBL17364246 0.85 MAPT (0.50) TDP1KDM4EPOLBMAPTNPC1
SCHEMBL7978757 0.84 KLK1 (0.48) NPC1RAB9AKMT2APKMALDH1A1
SCHEMBL7348784 0.84 SMN1; SMN2 (0.50) TDP1KDM4EPOLBMAPTNPC1
SCHEMBL2745967 0.84 CYP1A2 (0.49) TDP1POLBNPC1RAB9AKMT2A
SCHEMBL10955222 0.82 GABRP (0.41) KDM4EPOLBMAPTKMT2APKM
SCHEMBL2390452 0.80 ALDH1A1 (0.55) TDP1KDM4EMAPTNPC1RAB9A
SCHEMBL11791029 0.80 PLAU (0.44) KMT2APKMMEN1CYP2C9ALDH1A1
SCHEMBL23566153 0.79 POLB (0.37) TDP1KDM4EPOLBMAPTNPC1

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
CN-114714707-A Breathable high-elasticity mask fabric and preparation method thereof 刘泽杰 2022-07-08 CN claimed
CN-114714707-A Breathable high-elasticity mask fabric and preparation method thereof 刘泽杰 2022-07-08 CN disclosed