SCHEMBL28896489

SCHEMBL28896489

CCOC(=O)c1[nH]ccc1NCC(CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)OC(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 7/20 0.35
LMNA P02545 7/20 0.35
HPGD P15428 6/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MEN1 O00255 3/20 0.35
CCR6 P51684 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL28896824 0.89 MEP1B (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1TDP1
SCHEMBL28896488 0.88 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL28896837 0.82 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL28896575 0.80 LMNA (0.33) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL28896836 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL28896822 0.77 GAA (0.36) ALDH1A1KMT2AMEN1POLBNPC1
SCHEMBL29211302 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL29211251 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAHPGDKMT2A
SCHEMBL28896258 0.75 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL28896310 0.72 TSHR (0.40) SMN1; SMN2ALDH1A1KMT2AMAPTHTT

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-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed