SCHEMBL9437553

SCHEMBL9437553

O=C1CN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)C2=N[N]C=C2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
GFER P55789 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MMP2 P08253 5/20 0.34
MMP9 P14780 4/20 0.34
ADAMTS4 O75173 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9437560 0.88 KMT2A (0.41) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL9437599 0.82 CTSS (0.36) F2GFERMEN1KMT2AALOX5AP
SCHEMBL9437602 0.82 F2 (0.36) F2GFERMEN1KMT2AALDH1A1
SCHEMBL9437603 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9437646 0.82 HSD17B10 (0.40) MMP2MMP9ADAMTS4SMN1; SMN2TSHR
SCHEMBL9437538 0.80 ALDH1A1 (0.37) F2GFERMEN1KMT2AALDH1A1
SCHEMBL9437648 0.79 MMP2 (0.36) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL9437614 0.78 F2 (0.36) F2GFERMEN1KMT2AALDH1A1
SCHEMBL7338835 0.73 REN (0.46)
SCHEMBL7338208 0.71

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