SCHEMBL11613615

SCHEMBL11613615

O=C(COCCO)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
HPGD P15428 4/20 0.61
GAA P10253 1/20 0.54
TSHR P16473 2/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL9125404 0.85 HPGD (0.59) KMT2AHPGDGAATSHRRECQL
SCHEMBL13865100 0.85 KMT2A (0.52) KMT2AHPGDGAATSHRRECQL
SCHEMBL26581051 0.84 TSHR (0.63) KMT2AHPGDGAATSHRRECQL
SCHEMBL26581062 0.84 TSHR (0.63) KMT2AHPGDGAATSHRRECQL
SCHEMBL14112017 0.83 KMT2A (0.65) KMT2AHPGDGAATSHRSMN1; SMN2
SCHEMBL9124359 0.81 KMT2A (0.63) KMT2AHPGDGAATSHRRECQL
SCHEMBL7527675 0.81 MAPT (0.64) KMT2AHPGDGAASMN1; SMN2RAB9A
SCHEMBL14112016 0.80 EPHX2 (0.67) KMT2AHPGDGAATSHRRECQL
SCHEMBL16326841 0.80 KMT2A (0.54) KMT2AHPGDGAATSHRRECQL
SCHEMBL13373646 0.78 L3MBTL1 (0.52) KMT2AHPGDGAASMN1; SMN2RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107235852-B A kind of method of synthesizing amide 南京理工大学 2019-05-31 CN disclosed
CN-107235852-A A kind of method of synthesizing amide 南京理工大学 2017-10-10 CN disclosed
US-4130711-A DEHYDROGENATION OF A N-HYDROXYALKYL N-AMIDOALKYL AMINE, REDUCED COPPER CATALYST THE DOW CHEMICAL COMPANY (US) 1978-12-19 US disclosed
US-4082748-A CATALYTIC DEHYDROCYCLIZATION THE DOW CHEMICAL COMPANY (US) 1978-04-04 US disclosed