SCHEMBL14919477

SCHEMBL14919477

CC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
HTR7 P34969 6/20 0.58
HTR1D P28221 3/20 0.58
HTR2B P41595 3/20 0.58
HTR1A P08908 2/20 0.58
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1B P35368 1/20 0.58
CNR1 P21554 2/20 0.57
EPHX2 P34913 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.57
MCOLN3 Q8TDD5 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56

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
SCHEMBL17014218 0.92 MEN1 (0.58) MEN1KMT2AHTR7HTR1DHTR2B
SCHEMBL8564336 0.85 MEN1 (0.83) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL13599035 0.85 MEN1 (0.64) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL2962589 0.84 MEN1 (0.62) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL3977265 0.82 MEN1 (0.64) MEN1KMT2AHTR2AHTR2CCNR1
SCHEMBL31212414 0.82 MEN1 (0.64) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL7216688 0.82 KMT2A (0.97) MEN1KMT2AHTR2BHTR1ACNR1
SCHEMBL17007472 0.81 MEN1 (0.71) MEN1KMT2ACNR1EPHX2TSHR
SCHEMBL13598934 0.81 HDAC3 (0.68) MEN1KMT2AHTR2AHTR2CCNR1
SCHEMBL1063351 0.81 KMT2A (1.00) MEN1KMT2ACNR1EPHX2TSHR

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
WO-2013066469-A2 KINASE INHIBITORS CAPABLE OF INCREASING THE SENSITIVITY OF BACTERIAL PATHOGENS TO B-LACTAM ANTIBIOTICS SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2013-05-10 WO disclosed