SCHEMBL9437644

SCHEMBL9437644

Nc1n[c]c(C(=O)[C@@H](Cc2ccccc2)CS(=O)(=O)N2CCOCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
REN P00797 1/20 0.38
CTSS P25774 1/20 0.36
MAPT P10636 3/20 0.35
MMP8 P22894 1/20 0.35
HTT P42858 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL9437516 0.89 REN (0.38) ALDH1A1KMT2ARENCTSSPOLB
SCHEMBL9437584 0.85 CTSS (0.34) KMT2ARENCTSSGAATSHR
SCHEMBL8909332 0.80 LMNA (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7301756 0.80 LMNA (0.56) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9437682 0.78 LMNA (0.43) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9437587 0.75 LMNA (0.44) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9437606 0.75 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9437608 0.75 LMNA (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7293036 0.73 MEN1 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7336480 0.69 REN (0.38) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed