SCHEMBL28807393

SCHEMBL28807393

CC(=O)c1ccc(Cl)cc1.CC(C)(C)OC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NLRP1 Q9C000 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ ELANE P08246 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
4-Chloroaniline SCHEMBL27831633 0.82 MAOA (0.44) MEN1KMT2AMAPTNPC1MAOA
SCHEMBL27890515 0.81 MEN1 (0.42) MEN1KMT2ARAB9AMAPTNPC1
Chlorobenzene SCHEMBL27484099 0.80 KMT2A (0.42) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL75640 0.79 MAPT (0.69) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL17187946 0.79 MAPT (0.69) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL28193245 0.79 MAPT (0.69) MEN1KMT2ARAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL27858043 0.77 MAPT (0.67) MEN1KMT2ARAB9AMAPTNPC1
Ammonia Solution, Strong SCHEMBL17180520 0.77 MAPT (0.67) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL20390885 0.76 CA1 (0.53) MEN1KMT2ARAB9AMAPTNPC1
Nitrogen SCHEMBL27858242 0.75 MAPT (0.64) MEN1KMT2ARAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103562178-A Method for producing isoxazoline compound SUMITOMO CHEMICAL CO 2014-02-05 — — CN disclosed
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