SCHEMBL29501913

SCHEMBL29501913

CCOC(=O)c1cnc(SC)nc1N[C@H]1C[C@@H](C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SYK P43405 2/20 0.53
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FOS P01100 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
NR2F2 P24468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL26159721 1.00 ALDH1A1 (0.55) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL23948486 1.00 ALDH1A1 (0.55) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL29502066 1.00 ALDH1A1 (0.55) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL25419189 1.00 ALDH1A1 (0.55) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL23948226 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL29501934 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL29508808 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL25057369 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL22860606 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2
SCHEMBL26159707 0.87 ALDH1A1 (0.59) ALDH1A1SYKMAPTLMNASMN1; SMN2

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-114315834-B Imidazolone derivatives and their use in medicine 成都百裕制药股份有限公司 2024-01-05 CN disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed