SCHEMBL28201211

SCHEMBL28201211

Cc1cc(C)cc(N2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.49
HTR1A P08908 3/20 0.47
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MAPT P10636 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
SCHEMBL4403555 0.83 CA1 (0.56) MEN1KMT2AATMLMNAALDH1A1
SCHEMBL4412154 0.80 LMNA (0.56) MEN1KMT2ALMNAHTR1AALDH1A1
SCHEMBL6698451 0.78 MAPT (0.59) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL2661540 0.78 ADRA2C (0.54) MEN1KMT2AATMLMNAHTR1A
SCHEMBL4172010 0.76 MAPT (0.68) MEN1KMT2AATMHTR1AALDH1A1
SCHEMBL25556709 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRSCN9A
SCHEMBL3436302 0.75 TSHR (0.66) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL3436303 0.75 HTT (0.53) MEN1KMT2ALMNAHTR1AALDH1A1
SCHEMBL10963122 0.75 ME2 (0.58) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL20888096 0.74 ALDH1A1 (0.48) KMT2AALDH1A1TSHRKDM4EHSP90AA1

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-107735397-A GPR55 receptor active selective modulators:Chromene pyrazole derivatives 高等科学研究委员会(CSIC) 2018-02-23 CN disclosed