SCHEMBL28657111

SCHEMBL28657111

CC(C)NCc1cnc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A3 Q01959 1/20 0.37
SLC8A1 P32418 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
SCHEMBL5875819 0.79 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1TDP1POLBRAB9A
SCHEMBL5127828 0.78
SCHEMBL2088285 0.77 CYP1A2 (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL18667048 0.75
SCHEMBL29777089 0.75 KMT2A (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5126949 0.74 L3MBTL1 (0.44) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10204766 0.74 L3MBTL1 (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5875812 0.74 HDAC6 (0.36) KMT2AMEN1L3MBTL1POLBSLC8A1
SCHEMBL12648598 0.74 KMT2A (0.44) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12890736 0.73 CYP11B1 (0.49) LMNAALDH1A1RAB9ASLC8A1

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-113582987-B Substituted benzamide isoxazoline derivative or salt acceptable as pesticide, composition and application thereof 海利尔药业集团股份有限公司 2023-06-30 CN disclosed
CN-113582987-A Substituted benzamide isoxazoline derivative or salt and composition thereof acceptable as pesticide and application thereof 海利尔药业集团股份有限公司 2021-11-02 CN disclosed