SCHEMBL28638384

SCHEMBL28638384

CCOC(=O)C(C#N)=CC=COC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
MAPT P10636 8/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
GAA P10253 4/20 0.49
USP2 O75604 3/20 0.49
ALDH1A1 P00352 8/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6305647 0.83 CYP2C9 (0.57) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL6305649 0.83 CYP2C9 (0.57) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL9501549 0.82 APP (0.48) CYP2C9MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9501545 0.82 APP (0.48) CYP2C9MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28882651 0.80 CYP2C9 (0.54) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL4546680 0.79 CYP2C9 (0.61) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL31636860 0.79 CYP2C9 (0.61) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL4135128 0.79 CYP2C9 (0.61) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL9869802 0.79 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A
SCHEMBL15491442 0.79 CYP2C9 (0.66) CYP2C9MAPTMEN1KMT2ARAB9A

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-113461667-B Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2022-03-22 CN claimed
CN-113461667-A Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2021-10-01 CN claimed
CN-113461667-B Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2022-03-22 CN disclosed
CN-113461667-B Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2022-03-22 CN disclosed
CN-113461667-A Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2021-10-01 CN disclosed
CN-113461667-A Method for synthesizing nicosulfuron by hydrogen sulfide closed loop 淄博新农基作物科学有限公司 2021-10-01 CN disclosed