SCHEMBL14548976

SCHEMBL14548976

CCC(C)Nc1nc(S)nc(S)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.38
ATM Q13315 1/20 0.35
PTGS1 P23219 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
SCHEMBL10747977 0.83 CYP2D6 (0.40) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL8980541 0.77 GAA (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL18680108 0.76 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL10059800 0.74 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL11044268 0.74 GAA (0.56) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL14549230 0.74
SCHEMBL8980528 0.73 TDP1 (0.33) KMT2AALDH1A1TDP1GAA
SCHEMBL10726095 0.72 GAA (0.51) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL11816102 0.71 KMT2A (0.44) L3MBTL1MEN1KMT2ATP53CYP1A2
SCHEMBL10746600 0.71 ESR1 (0.37) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925603-A Cross-linked polyvinyl chloride material and preparation method thereof 天津科技大学 2020-11-13 CN claimed
CN-111469516-A Inner chamber plate of refrigerator compressor and processing technology thereof 合肥晨乐塑胶有限公司 2020-07-31 CN claimed
CN-111253698-B Multifunctional PVC (polyvinyl chloride) crosslinked cable sheath material and processing technology thereof 安徽弘宜新材料科技发展有限公司 2022-06-03 CN disclosed
CN-111925603-A Cross-linked polyvinyl chloride material and preparation method thereof 天津科技大学 2020-11-13 CN disclosed
CN-111469516-A Inner chamber plate of refrigerator compressor and processing technology thereof 合肥晨乐塑胶有限公司 2020-07-31 CN disclosed
CN-111253698-A Multifunctional PVC (polyvinyl chloride) crosslinked cable sheath material and processing technology thereof 安徽弘宜新材料科技发展有限公司 2020-06-09 CN disclosed
EP-2093247-B1 Triazinethiol and alkenyl-containing organopolysiloxane, making method, and primer composition comprising same SHINETSU CHEMICAL CO (JP) 2013-01-09 EP disclosed