SCHEMBL28824680

SCHEMBL28824680

[CH2]c1c(C(C)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
GPR35 Q9HC97 1/20 0.47
CTSD P07339 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DHODH Q02127 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ERN1 O75460 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8483109 0.84 TSHR (0.64) TSHRALDH1A1TDP1GPR35CTSD
SCHEMBL29556511 0.81 ALDH1A1 (0.63) TSHRALDH1A1TDP1CTSDSMN1; SMN2
SCHEMBL334763 0.81 ALDH1A1 (0.63) TSHRALDH1A1TDP1CTSDSMN1; SMN2
SCHEMBL28408395 0.81 ALDH1A1 (0.63) TSHRALDH1A1TDP1CTSDSMN1; SMN2
SCHEMBL12920010 0.81 TSHR (0.51) TSHRALDH1A1TDP1GPR35CTSD
SCHEMBL312392 0.80 GPR35 (0.64) TSHRALDH1A1TDP1GPR35CTSD
SCHEMBL29506396 0.80 GPR35 (0.64) TSHRALDH1A1TDP1GPR35CTSD
SCHEMBL30041946 0.80 TSHR (0.74) TSHRALDH1A1TDP1L3MBTL1MEN1
SCHEMBL2932050 0.80 TSHR (0.74) TSHRALDH1A1TDP1L3MBTL1MEN1
SCHEMBL14394542 0.80 TDP1 (0.54) TSHRALDH1A1TDP1GPR35CTSD

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-105272925-A Preparation method of paddy field herbicide pyriminobac-methyl UNIV CHANGZHOU 2016-01-27 CN claimed
CN-105272925-A Preparation method of paddy field herbicide pyriminobac-methyl UNIV CHANGZHOU 2016-01-27 CN disclosed