SCHEMBL29950415

SCHEMBL29950415

Nc1ccccc1-c1cnccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.61
KDM4D Q6B0I6 5/20 0.61
KDM6B O15054 5/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4A O75164 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ATAD2 Q6PL18 1/20 0.44
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MYC P01106 1/20 0.41
IDO1 P14902 1/20 0.41
GPBAR1 Q8TDU6 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
Formamide SCHEMBL28304177 0.94 KDM4C (0.54) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL20593569 0.86 KDM4C (0.53) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL30782804 0.81 KDM4C (0.49) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL28883633 0.81 KDM4C (0.49) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL6870086 0.80 MYC (0.53) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL1535069 0.80 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL30305189 0.80 ALDH1A1 (0.56) KDM4EALDH1A1L3MBTL1MEN1MAPT
SCHEMBL2749796 0.79 KDM4C (0.53) KDM4CKDM4DKDM6BKDM4EALDH1A1
SCHEMBL2560322 0.79 KDM4C (0.49) KDM4CKDM4DKDM6BKDM4EALDH1A1
Formamide SCHEMBL28304082 0.78 KDM4C (0.46) KDM4CKDM4DKDM6BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109836378-B Sphingomyelin synthase inhibitor, preparation method and application thereof 上海华汇拓医药科技有限公司 2022-09-30 CN disclosed