SCHEMBL27768491

SCHEMBL27768491

Cn1c(=O)cc(C2CCCCC2)[nH]c1=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDF2 Q9Y5A9 2/20 0.58
DAO P14920 2/20 0.41
CSF1R P07333 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
NR1I2 O75469 1/20 0.36
KDM4B O94953 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DOHH Q9BU89 1/20 0.36
YTHDF3 Q7Z739 1/20 0.36
YTHDF1 Q9BYJ9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
NPY5R Q15761 1/20 0.35
LDHA P00338 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL9414195 0.83 YTHDF2 (0.83) YTHDF2DAOCSF1RALDH1A1LMNA
SCHEMBL27831184 0.74 ALDH1A1 (0.41) YTHDF2ALDH1A1LMNAPOLBNR1I2
SCHEMBL9414252 0.74 YTHDF2 (1.00) YTHDF2DAOALDH1A1LMNAPOLB
SCHEMBL28878319 0.68 ADORA2A (0.38) ALDH1A1LMNAPOLBADORA2AADORA2B
SCHEMBL9420362 0.67 ALDH1A1 (0.45) YTHDF2DAOALDH1A1LMNAPOLB
SCHEMBL20075886 0.66 NPY5R (0.42) YTHDF2DAOCSF1RPOLBNR1I2
SCHEMBL19583314 0.66 YTHDF2 (0.48) YTHDF2DAOCSF1RALDH1A1LMNA
SCHEMBL19583294 0.66 CSF1R (0.39) YTHDF2DAOCSF1RALDH1A1LMNA
SCHEMBL13885282 0.66 PARP1 (0.41) YTHDF2DAOCSF1RALDH1A1YTHDF3
SCHEMBL28154327 0.66 ADORA2A (0.37) ALDH1A1LMNAPOLBADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475536-A Polysubstituted S-DACO derivative, synthesizing method and use thereof UNIV YUNNAN (CN) 2009-07-08 CN claimed
CN-101475535-A Polysubstituted N-DACO derivative, synthesizing method and use thereof UNIV YUNNAN (CN) 2009-07-08 CN claimed
CN-110483487-A A kind of 2- thiomethylpyrazole pyrimidinones, preparation method, pharmaceutical composition and application UNIV YUNNAN 2019-11-22 CN disclosed
CN-101475536-A Polysubstituted S-DACO derivative, synthesizing method and use thereof UNIV YUNNAN (CN) 2009-07-08 CN disclosed
CN-101475535-A Polysubstituted N-DACO derivative, synthesizing method and use thereof UNIV YUNNAN (CN) 2009-07-08 CN disclosed