SCHEMBL28440293

SCHEMBL28440293

CNC(C)=C(C(C)=O)C(=O)Nc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CASP6 P55212 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KCNH2 Q12809 1/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL12220358 0.89 POLB (0.60) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL6855776 0.82 ALDH1A1 (0.65) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL6850954 0.81 ALDH1A1 (0.71) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL28440302 0.80 NPC1 (0.62) POLBTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28440244 0.79 NPC1 (0.47) KMT2AALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL13696936 0.77 POLB (0.60) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL10060206 0.77 POLB (0.60) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL8477021 0.76 POLB (0.63) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL10895321 0.76 POLB (0.62) POLBCASP6TDP1KMT2AALDH1A1
SCHEMBL13923626 0.76 SMN1; SMN2 (0.68) POLBKMT2AALDH1A1SMN1; SMN2L3MBTL1

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-111533707-B Preparation method of polysubstituted oxazole-2 (3H) -ketone compound 中国科学院长春应用化学研究所 2022-07-15 CN disclosed
CN-111533707-A Preparation method of polysubstituted oxazole-2 (3H) -ketone compound 中国科学院长春应用化学研究所 2020-08-14 CN disclosed