SCHEMBL9437602

SCHEMBL9437602

O=C1CN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)C2=NC=C[N]2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ MMP2 P08253 3/20 0.32
▸ MMP9 P14780 2/20 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
SCHEMBL9437601 0.87 KMT2A (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MMP2
SCHEMBL9437553 0.82 F2 (0.36) F2GFERKMT2AALDH1A1MEN1
SCHEMBL9437595 0.82 KMT2A (0.37) F2GFERKMT2AALOX5APFEN1
SCHEMBL9437590 0.82 KMT2A (0.37) F2GFERKMT2AALOX5APFEN1
SCHEMBL9437655 0.81 HSD17B10 (0.40) KMT2AALDH1A1MEN1TSHR
SCHEMBL9437538 0.80 ALDH1A1 (0.37) F2GFERKMT2AALDH1A1MEN1
SCHEMBL9437614 0.79 F2 (0.36) F2GFERKMT2AALDH1A1MEN1
SCHEMBL9437588 0.78 CHRM1 (0.41) KMT2AALDH1A1MEN1L3MBTL1
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
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