SCHEMBL27404653

SCHEMBL27404653

CCOC(=O)C(Cl)(Cl)CCC#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
PKM P14618 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL27419921 0.81 MEN1 (0.47) MEN1KMT2A
SCHEMBL1341844 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL11710012 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL18290151 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL8979177 0.76 MEN1 (0.83) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL3990055 0.76 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL1343741 0.76 MEN1 (0.89) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL11566033 0.76 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL9629131 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRCYP3A4
SCHEMBL3653375 0.75 MEN1 (0.86) MEN1KMT2AALDH1A1TSHRCYP4F2

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-1107664-C Synthesis process of a compound GUANGZHOU INST OF CHEMISTRY (CN) 2003-05-07 CN disclosed
CN-1277176-A Synthesis process of a compound GUANGZHOU INST OF CHEMISTRY AC (CN) 2000-12-20 CN disclosed