SCHEMBL28626232

SCHEMBL28626232

O=C(NC1(C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MITF O75030 1/20 0.49
CES1 P23141 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL15272407 0.82 L3MBTL1 (0.61) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5513628 0.81 MAPK1 (0.53) TDP1MEN1KMT2APOLBNPC1
SCHEMBL6295881 0.79 MEN1 (0.63) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL30583803 0.78 ALDH1A1 (0.51) TDP1MEN1KMT2APOLBNPC1
SCHEMBL29077640 0.78 MEN1 (0.51) TDP1MEN1KMT2APOLBNPC1
SCHEMBL1976526 0.77 KDM4E (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1740298 0.77 KCNK3 (0.46) TDP1MEN1KMT2APOLBNPC1
SCHEMBL6301969 0.77 ALDH1A1 (0.56) TDP1MEN1KMT2APOLBNPC1
SCHEMBL28723007 0.74 MEN1 (0.82) TDP1MEN1KMT2APOLBCES1
SCHEMBL27815181 0.74 MAPT (0.67) TDP1MEN1KMT2APOLBNPC1

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-113317322-B Soluble solution containing aryl formamide cyclopropanecarboxylic acid and preparation method thereof 郑州郑氏化工产品有限公司 2022-04-05 CN disclosed
CN-113317322-A Soluble solution containing aryl formamide cyclopropanecarboxylic acid and preparation method thereof 郑州郑氏化工产品有限公司 2021-08-31 CN disclosed