SCHEMBL28829964

SCHEMBL28829964

CC(C)(C)C(=O)C(Cc1cnc(Cl)s1)n1cncn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
HSP90AA1 P07900 2/20 0.34
RAB9A P51151 2/20 0.33
ATM Q13315 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
CYP24A1 Q07973 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP26A1 O43174 1/20 0.31

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
SCHEMBL11466661 0.83 MAPT (0.61) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL23564008 0.81 MAPT (0.67) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL23564574 0.80 MAPT (0.62) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL29767719 0.78 MAPT (0.67) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL23529438 0.78 MAPT (0.67) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL23529431 0.77 KMT2A (0.61) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL5364455 0.77 MAPT (0.77) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL23563999 0.77 MAPT (0.69) MAPTCYP3A4KMT2AMEN1TSHR
SCHEMBL29767701 0.77 MEN1 (0.38) MAPTCYP3A4KMT2AMEN1TDP1
SCHEMBL9824981 0.74 MAPT (1.00) MAPTCYP3A4KMT2AMEN1TDP1

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-114685211-B Pesticide-fertilizer composition and application thereof 沈阳化工研究院有限公司 2023-01-24 CN disclosed
CN-114685211-A Pesticide-fertilizer composition and application thereof 沈阳化工研究院有限公司 2022-07-01 CN disclosed