SCHEMBL28686642

SCHEMBL28686642

Cc1c(Cl)c(O)nc(O)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
POLQ O75417 1/20 0.32

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
SCHEMBL30692217 1.00 HTT (0.46) HTTMEN1KMT2AGLATSHR
SCHEMBL4673214 0.86 HTT (0.58) HTTMEN1KMT2AGLATSHR
SCHEMBL11100290 0.86 KMT2A (0.44) HTTMEN1KMT2AGLATSHR
SCHEMBL19734735 0.84 ALDH1A1 (0.43) HTTMEN1KMT2AGLATSHR
SCHEMBL7238065 0.80 ALDH1A1 (0.36) HTTMEN1KMT2AGLATSHR
SCHEMBL11099811 0.75 ALDH1A1 (0.42) HTTMEN1KMT2AGLATSHR
SCHEMBL21686185 0.72 ALDH1A1 (0.38) HTTMEN1KMT2AGLATSHR
SCHEMBL10728519 0.71 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8127561 0.70 MEN1 (0.35) HTTMEN1KMT2AGLATSHR
SCHEMBL2910641 0.70 ALDH1A1 (0.59) HTTMEN1KMT2AGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929622-B Synthesis method of 2,5, 6-trichloro-cyanogen 山西永津集团有限公司 2023-11-10 CN claimed
CN-113929622-A Synthetic method of 2,5, 6-trichloro-cyanic acid 山西永津集团有限公司 2022-01-14 CN claimed
CN-113929622-B Synthesis method of 2,5, 6-trichloro-cyanogen 山西永津集团有限公司 2023-11-10 CN disclosed
CN-113929622-B Synthesis method of 2,5, 6-trichloro-cyanogen 山西永津集团有限公司 2023-11-10 CN disclosed
CN-113929622-A Synthetic method of 2,5, 6-trichloro-cyanic acid 山西永津集团有限公司 2022-01-14 CN disclosed
CN-113929622-A Synthetic method of 2,5, 6-trichloro-cyanic acid 山西永津集团有限公司 2022-01-14 CN disclosed