SCHEMBL14896643

SCHEMBL14896643

CCC(=O)NCCNC=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ADH1B P00325 3/20 0.48
ADH1A P07327 3/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 2/20 0.44
EPHX1 P07099 1/20 0.43
ADH4 P08319 1/20 0.43
LMNA P02545 1/20 0.39
CASP2 P42575 1/20 0.38
RECQL P46063 1/20 0.37
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 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
SCHEMBL14619814 0.92 MEN1 (0.54) MEN1KMT2AADH1BADH1AADH7
SCHEMBL2386786 0.84
SCHEMBL22134304 0.83 CASP2 (0.59) MEN1KMT2AADH1BADH1AADH7
SCHEMBL24471547 0.83 MEN1 (0.71) MEN1KMT2ACASP2RECQLTSHR
SCHEMBL12799428 0.83 MEN1 (0.78) MEN1KMT2ACASP2RECQLCYP1A2
SCHEMBL19752648 0.81 ALDH1A1 (0.41) MEN1KMT2AADH1BADH1AADH7
SCHEMBL21841747 0.81 MEN1 (0.68) MEN1KMT2AEPHX1CASP2NAAA
SCHEMBL18515726 0.80 MEN1 (0.67) MEN1KMT2ACASP2RECQLTSHR
SCHEMBL22211291 0.79 MEN1 (0.65) MEN1KMT2ACASP2NAAA
SCHEMBL4761576 0.79

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
EP-3730486-A1 HEAT RESISTANT POLYLACTIC ACID CONTINUOUS EXTRUSION FOAMING MATERIAL AND PREPARATION METHOD THEREFOR Ningbo Homelink Eco-Itech Co., Ltd. (CN) 2020-10-28 EP disclosed
WO-2013059293-A1 SINGLE, DIRECT DETECTION OF HEMOGLOBIN A1C PERCENTAGE USING ENZYME TRIGGERED REDOX ALTERING CHEMICAL ELIMINATION (E-TRACE) IMMUNOASSAY OHMX CORPORATION (US) 2013-04-25 WO disclosed